4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide

C29H34N6O4 — CID 143467749

IUPAC4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)c2ccc(CN/C=C\N)c3ccccc23)c(CC(=O)NCC2CCC2)n1
InChIInChI=1S/C29H34N6O4/c1-31-27(37)18-39-28-12-11-24(25(34-28)15-26(36)33-16-19-5-4-6-19)35-29(38)23-10-9-20(17-32-14-13-30)21-7-2-3-8-22(21)23/h2-3,7-14,19,32H,4-6,15-18,30H2,1H3,(H,31,37)(H,33,36)(H,35,38)/b14-13-
InChIKeyINEFNVIEDAKGMO-YPKPFQOOSA-N
MW530.63 g/mol
LogP2.59
Rot. Bonds12

About 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide

4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide (PubChem CID 143467749) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide
PubChem CID143467749
Molecular FormulaC29H34N6O4
Molecular Weight530.63 g/mol
Exact Mass530.26
IUPAC Name4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)c2ccc(CN/C=C\N)c3ccccc23)c(CC(=O)NCC2CCC2)n1
InChIInChI=1S/C29H34N6O4/c1-31-27(37)18-39-28-12-11-24(25(34-28)15-26(36)33-16-19-5-4-6-19)35-29(38)23-10-9-20(17-32-14-13-30)21-7-2-3-8-22(21)23/h2-3,7-14,19,32H,4-6,15-18,30H2,1H3,(H,31,37)(H,33,36)(H,35,38)/b14-13-
InChIKeyINEFNVIEDAKGMO-YPKPFQOOSA-N
XLogP2.59
TPSA147.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 52.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;methyl 2-[[5-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-(cyclohexylmethylcarbamoyl)-2-pyridinyl]oxy]acetate
CID 143467864
methyl 2-[[6-(cyclobutylmethylcarbamoyl)-5-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-2-pyridinyl]oxy]acetate
CID 16737680
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide
CID 143144400
6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 16736339
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 143467857
N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide
CID 71546834
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide
CID 143144363
N-(cyclobutylmethyl)-3-[[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16736362
3-[[4-[(3-benzyltriazol-3-ium-1-yl)methyl]naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)-6-phenylmethoxypyridine-2-carboxamide
CID 16737325
N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
CID 58973371
N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16735933
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-6-methoxy-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;6-methoxy-3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 158402465

Frequently Asked Questions

What is the IUPAC name of 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide?
The IUPAC name of 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide (CID 143467749) is 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide is CNC(=O)COc1ccc(NC(=O)c2ccc(CN/C=C\N)c3ccccc23)c(CC(=O)NCC2CCC2)n1.
What is the InChIKey of 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide?
The InChIKey is INEFNVIEDAKGMO-YPKPFQOOSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-31-27(37)18-39-28-12-11-24(25(34-28)15-26(36)33-16-19-5-4-6-19)35-29(38)23-10-9-20(17-32-14-13-30)21-7-2-3-8-22(21)23/h2-3,7-14,19,32H,4-6,15-18,30H2,1H3,(H,31,37)(H,33,36)(H,35,38)/b14-13-.
What are the key properties of 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide?
4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 2.59, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(Z)-2-aminoethenyl]amino]methyl]-N-[2-[2-(cyclobutylmethylamino)-2-oxoethyl]-6-[2-(methylamino)-2-oxoethoxy]-3-pyridinyl]naphthalene-1-carboxamide is sourced from PubChem (CID 143467749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).