N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide

C24H30N4O3 — CID 171556367

IUPACN-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
SMILESC/C=C(C(\C)=C/C(/C(CC)=N\O)=C(\C)CC)/c1cc2cnc(NC=O)cc2n(C)c1=O
InChIInChI=1S/C24H30N4O3/c1-7-15(4)19(21(9-3)27-31)10-16(5)18(8-2)20-11-17-13-25-23(26-14-29)12-22(17)28(6)24(20)30/h8,10-14,31H,7,9H2,1-6H3,(H,25,26,29)/b16-10-,18-8+,19-15-,27-21-
InChIKeySYXYAPYQUCDRLF-GWTUQBGCSA-N
MW422.53 g/mol
LogP4.82
Rot. Bonds8

About N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide

N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide (PubChem CID 171556367) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide.

Molecular Properties

Compound NameN-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
PubChem CID171556367
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
SMILESC/C=C(C(\C)=C/C(/C(CC)=N\O)=C(\C)CC)/c1cc2cnc(NC=O)cc2n(C)c1=O
InChIInChI=1S/C24H30N4O3/c1-7-15(4)19(21(9-3)27-31)10-16(5)18(8-2)20-11-17-13-25-23(26-14-29)12-22(17)28(6)24(20)30/h8,10-14,31H,7,9H2,1-6H3,(H,25,26,29)/b16-10-,18-8+,19-15-,27-21-
InChIKeySYXYAPYQUCDRLF-GWTUQBGCSA-N
XLogP4.82
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide with MolForge

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Related Compounds

N-[6-cyano-7-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]isoquinolin-3-yl]formamide
CID 171555681
ethane;2-fluoro-N-[3-[(2Z,4E,6E)-5-fluoro-4,7-dimethyl-6-propanoylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171556410
N-[3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
CID 167188310
N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide
CID 171555060
1-[7-[(2E,4Z,6Z)-4,7-dimethyl-6-propanoylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]-3-ethylurea
CID 171555065
2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555164
cyclopropane;N-[7-[(2E,4Z,6Z)-6-(1-hydroxy-2-methylsulfanylethyl)-4-methylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]formamide
CID 171556174
N-[7-[(2E,4Z,6Z)-6-(1-hydroxycyclobutyl)-4,7-dimethylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]acetamide
CID 171555303
(1R)-N-[3-[6-[(E)-C-ethyl-N-hydroxycarbonimidoyl]-5-fluoro-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171556536
1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one
CID 123476129
(5Z,6Z,8E)-5-butan-2-ylidene-8-(7-chloro-1-methyl-2,6-naphthyridin-3-yl)-7-methyldeca-6,8-dien-4-one
CID 171555089
iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate
CID 174323263

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide?
The IUPAC name of N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide (CID 171556367) is N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide.
What is the SMILES notation for N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide?
The canonical SMILES for N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide is C/C=C(C(\C)=C/C(/C(CC)=N\O)=C(\C)CC)/c1cc2cnc(NC=O)cc2n(C)c1=O.
What is the InChIKey of N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide?
The InChIKey is SYXYAPYQUCDRLF-GWTUQBGCSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-7-15(4)19(21(9-3)27-31)10-16(5)18(8-2)20-11-17-13-25-23(26-14-29)12-22(17)28(6)24(20)30/h8,10-14,31H,7,9H2,1-6H3,(H,25,26,29)/b16-10-,18-8+,19-15-,27-21-.
What are the key properties of N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide?
N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide has a molecular weight of 422.53 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2E,4Z,6Z)-6-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4,7-dimethylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide is sourced from PubChem (CID 171556367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).