6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C49H37Cl2F3N8O5 — CID 159131877

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C)c2)cc1.COc1ccc(Cn2c(=O)c3cnc4ccc(Cl)nc4c3n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C25H16ClF3N4O3.C24H21ClN4O2/c1-36-17-7-5-14(6-8-17)13-32-23(34)18-12-30-19-9-10-20(26)31-21(19)22(18)33(24(32)35)16-4-2-3-15(11-16)25(27,28)29;1-15-4-3-5-17(12-15)28-22-19(14-26-20-10-11-21(25)29-23(20)22)24(30)27-13-16-6-8-18(31-2)9-7-16/h2-12H,13H2,1H3;3-12,14H,13H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyKGZPDRPVVUYEJD-UHFFFAOYSA-N
MW945.79 g/mol
LogP10.10
Rot. Bonds10

About 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 159131877) has the molecular formula C49H37Cl2F3N8O5 and a molecular weight of 945.79 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID159131877
Molecular FormulaC49H37Cl2F3N8O5
Molecular Weight945.79 g/mol
Exact Mass944.22
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C)c2)cc1.COc1ccc(Cn2c(=O)c3cnc4ccc(Cl)nc4c3n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C25H16ClF3N4O3.C24H21ClN4O2/c1-36-17-7-5-14(6-8-17)13-32-23(34)18-12-30-19-9-10-20(26)31-21(19)22(18)33(24(32)35)16-4-2-3-15(11-16)25(27,28)29;1-15-4-3-5-17(12-15)28-22-19(14-26-20-10-11-21(25)29-23(20)22)24(30)27-13-16-6-8-18(31-2)9-7-16/h2-12H,13H2,1H3;3-12,14H,13H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyKGZPDRPVVUYEJD-UHFFFAOYSA-N
XLogP10.10
TPSA155.15 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.79
LogP ≤ 510.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(6-Methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73437952
9-(6-Methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438153
9-(6-Methoxypyridin-3-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438156
N-(4-methoxybenzyl)-6-chloro-4-(3-(trifluoromethyl)phenylamino)-1,5-naphthyridine-3-carboxamide
CID 90077617
9-chloro-3-(4-methoxybenzyl)-1-(3-(trifluoromethyl)phenyl)pyrimidino[5,4-c][1,5]naphthyridine-2,4(1H,3H)-dione
CID 90077618
3-(Hydroxymethyl)-9-(6-methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077644
9-(6-Methoxy-3-pyridinyl)-3-(nitrosomethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077729
9-(6-Methoxypyridin-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118234723
9-chloro-3-[(4-methoxyphenyl)methyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]-2H-pyrimido[5,4-c][1,5]naphthyridin-1-ium-1-carbaldehyde
CID 123497596
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 123818813
5-(4-Chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
CID 159338640
9-Chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-chloro-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 160412024

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 159131877) is 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is COc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C)c2)cc1.COc1ccc(Cn2c(=O)c3cnc4ccc(Cl)nc4c3n(-c3cccc(C(F)(F)F)c3)c2=O)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is KGZPDRPVVUYEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF3N4O3.C24H21ClN4O2/c1-36-17-7-5-14(6-8-17)13-32-23(34)18-12-30-19-9-10-20(26)31-21(19)22(18)33(24(32)35)16-4-2-3-15(11-16)25(27,28)29;1-15-4-3-5-17(12-15)28-22-19(14-26-20-10-11-21(25)29-23(20)22)24(30)27-13-16-6-8-18(31-2)9-7-16/h2-12H,13H2,1H3;3-12,14H,13H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 945.79 g/mol, XLogP of 10.10, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 159131877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).