N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide

C27H25N5O — CID 167511967

IUPACN-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide
SMILESC/N=C/C(=C\N)c1cnc(Nc2ccccc2C)c(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C27H25N5O/c1-18-8-3-6-13-24(18)31-26-25(14-20(17-30-26)21(15-28)16-29-2)32-27(33)23-12-7-10-19-9-4-5-11-22(19)23/h3-17H,28H2,1-2H3,(H,30,31)(H,32,33)/b21-15+,29-16+
InChIKeyWLPOVDYFLJEKQD-IYVRHYQHSA-N
MW435.53 g/mol
LogP5.54
Rot. Bonds6

About N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide

N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide (PubChem CID 167511967) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide
PubChem CID167511967
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC NameN-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide
SMILESC/N=C/C(=C\N)c1cnc(Nc2ccccc2C)c(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C27H25N5O/c1-18-8-3-6-13-24(18)31-26-25(14-20(17-30-26)21(15-28)16-29-2)32-27(33)23-12-7-10-19-9-4-5-11-22(19)23/h3-17H,28H2,1-2H3,(H,30,31)(H,32,33)/b21-15+,29-16+
InChIKeyWLPOVDYFLJEKQD-IYVRHYQHSA-N
XLogP5.54
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512450
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
CID 102979737
5-(1-benzothiophene-3-carbonylamino)-N-[(3-hydroxycyclopentyl)methyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 176510250
5-(1-benzothiophene-3-carbonylamino)-N-(3-hydroxycyclopentyl)-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512110
1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide
CID 176509985

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide (CID 167511967) is N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide is C/N=C/C(=C\N)c1cnc(Nc2ccccc2C)c(NC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide?
The InChIKey is WLPOVDYFLJEKQD-IYVRHYQHSA-N. The full InChI is InChI=1S/C27H25N5O/c1-18-8-3-6-13-24(18)31-26-25(14-20(17-30-26)21(15-28)16-29-2)32-27(33)23-12-7-10-19-9-4-5-11-22(19)23/h3-17H,28H2,1-2H3,(H,30,31)(H,32,33)/b21-15+,29-16+.
What are the key properties of N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide?
N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide is sourced from PubChem (CID 167511967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).