4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile

C66H59ClN16O11 — CID 157150469

IUPAC4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile
SMILESCC1Nc2c(c(=O)n(O)c3ncccc23)C(=O)N1C.CCOC(=O)c1c(N)c2cccnc2n(OCc2ccccc2)c1=O.CNC(=O)c1c(N)c2cccnc2n(OCc2ccccc2)c1=O.N#Cc1cccnc1Cl.N#Cc1cccnc1NOCc1ccccc1
InChIInChI=1S/C18H17N3O4.C17H16N4O3.C13H11N3O.C12H12N4O3.C6H3ClN2/c1-2-24-18(23)14-15(19)13-9-6-10-20-16(13)21(17(14)22)25-11-12-7-4-3-5-8-12;1-19-16(22)13-14(18)12-8-5-9-20-15(12)21(17(13)23)24-10-11-6-3-2-4-7-11;14-9-12-7-4-8-15-13(12)16-17-10-11-5-2-1-3-6-11;1-6-14-9-7-4-3-5-13-10(7)16(19)12(18)8(9)11(17)15(6)2;7-6-5(4-8)2-1-3-9-6/h3-10H,2,11,19H2,1H3;2-9H,10,18H2,1H3,(H,19,22);1-8H,10H2,(H,15,16);3-6,14,19H,1-2H3;1-3H
InChIKeyALEUDEUJQNFCOU-UHFFFAOYSA-N
MW1287.75 g/mol
LogP7.33
Rot. Bonds13

About 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile

4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile (PubChem CID 157150469) has the molecular formula C66H59ClN16O11 and a molecular weight of 1287.75 g/mol. Its IUPAC name is 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile
PubChem CID157150469
Molecular FormulaC66H59ClN16O11
Molecular Weight1287.75 g/mol
Exact Mass1286.42
IUPAC Name4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile
SMILESCC1Nc2c(c(=O)n(O)c3ncccc23)C(=O)N1C.CCOC(=O)c1c(N)c2cccnc2n(OCc2ccccc2)c1=O.CNC(=O)c1c(N)c2cccnc2n(OCc2ccccc2)c1=O.N#Cc1cccnc1Cl.N#Cc1cccnc1NOCc1ccccc1
InChIInChI=1S/C18H17N3O4.C17H16N4O3.C13H11N3O.C12H12N4O3.C6H3ClN2/c1-2-24-18(23)14-15(19)13-9-6-10-20-16(13)21(17(14)22)25-11-12-7-4-3-5-8-12;1-19-16(22)13-14(18)12-8-5-9-20-15(12)21(17(13)23)24-10-11-6-3-2-4-7-11;14-9-12-7-4-8-15-13(12)16-17-10-11-5-2-1-3-6-11;1-6-14-9-7-4-3-5-13-10(7)16(19)12(18)8(9)11(17)15(6)2;7-6-5(4-8)2-1-3-9-6/h3-10H,2,11,19H2,1H3;2-9H,10,18H2,1H3,(H,19,22);1-8H,10H2,(H,15,16);3-6,14,19H,1-2H3;1-3H
InChIKeyALEUDEUJQNFCOU-UHFFFAOYSA-N
XLogP7.33
TPSA377.76 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001287.75
LogP ≤ 57.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile with MolForge

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Related Compounds

butane-2,3-diamine;2,3-dimethyl-7-phenylmethoxy-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione;ethyl 4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;7-hydroxy-2,3-dimethyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione
CID 158089726
ethyl 2-oxo-1-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-1,8-naphthyridine-3-carboxylate
CID 86639640
ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
CID 54210099
1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54735001
ethyl 4-(benzylamino)-8-hydroxy-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-(benzylamino)-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 158099982
ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663987
ethyl 5-[(4-chlorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 123252740
ethyl 3-[(3-cyano-2-pyridinyl)-phenylmethoxyamino]-3-oxopropanoate
CID 86639628
4-hydroxy-6-methoxycarbonyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylic acid
CID 68672949
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663990
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile?
The IUPAC name of 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile (CID 157150469) is 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile is CC1Nc2c(c(=O)n(O)c3ncccc23)C(=O)N1C.CCOC(=O)c1c(N)c2cccnc2n(OCc2ccccc2)c1=O.CNC(=O)c1c(N)c2cccnc2n(OCc2ccccc2)c1=O.N#Cc1cccnc1Cl.N#Cc1cccnc1NOCc1ccccc1.
What is the InChIKey of 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile?
The InChIKey is ALEUDEUJQNFCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4.C17H16N4O3.C13H11N3O.C12H12N4O3.C6H3ClN2/c1-2-24-18(23)14-15(19)13-9-6-10-20-16(13)21(17(14)22)25-11-12-7-4-3-5-8-12;1-19-16(22)13-14(18)12-8-5-9-20-15(12)21(17(13)23)24-10-11-6-3-2-4-7-11;14-9-12-7-4-8-15-13(12)16-17-10-11-5-2-1-3-6-11;1-6-14-9-7-4-3-5-13-10(7)16(19)12(18)8(9)11(17)15(6)2;7-6-5(4-8)2-1-3-9-6/h3-10H,2,11,19H2,1H3;2-9H,10,18H2,1H3,(H,19,22);1-8H,10H2,(H,15,16);3-6,14,19H,1-2H3;1-3H.
What are the key properties of 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile?
4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile has a molecular weight of 1287.75 g/mol, XLogP of 7.33, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxamide;2-chloropyridine-3-carbonitrile;ethyl 4-amino-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate;6-hydroxy-2,3-dimethyl-1,2-dihydropyrimido[5,4-c][1,8]naphthyridine-4,5-dione;2-(phenylmethoxyamino)pyridine-3-carbonitrile is sourced from PubChem (CID 157150469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).