N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide

C24H29ClN4O — CID 144881124

IUPACN-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide
SMILES[H]/N=C(/c1cc(Cl)ccc1N)C(C)NC(=O)c1cncc(C/C(C)=C/C=C(\C)CC)c1
InChIInChI=1S/C24H29ClN4O/c1-5-15(2)6-7-16(3)10-18-11-19(14-28-13-18)24(30)29-17(4)23(27)21-12-20(25)8-9-22(21)26/h6-9,11-14,17,27H,5,10,26H2,1-4H3,(H,29,30)/b15-6+,16-7+,27-23+
InChIKeyVOJMDUMSNORFEX-SKBSIUSGSA-N
MW424.98 g/mol
LogP5.35
Rot. Bonds8

About N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide

N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide (PubChem CID 144881124) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide
PubChem CID144881124
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide
SMILES[H]/N=C(/c1cc(Cl)ccc1N)C(C)NC(=O)c1cncc(C/C(C)=C/C=C(\C)CC)c1
InChIInChI=1S/C24H29ClN4O/c1-5-15(2)6-7-16(3)10-18-11-19(14-28-13-18)24(30)29-17(4)23(27)21-12-20(25)8-9-22(21)26/h6-9,11-14,17,27H,5,10,26H2,1-4H3,(H,29,30)/b15-6+,16-7+,27-23+
InChIKeyVOJMDUMSNORFEX-SKBSIUSGSA-N
XLogP5.35
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[2-(2-amino-5-chlorophenyl)-2-iminoethyl]pyridine-3-carboxamide
CID 144881066
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 166304512
S-propan-2-yl 2-amino-5-chlorobenzenecarbothioate
CID 134123075
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
CID 134567049

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide (CID 144881124) is N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide is [H]/N=C(/c1cc(Cl)ccc1N)C(C)NC(=O)c1cncc(C/C(C)=C/C=C(\C)CC)c1.
What is the InChIKey of N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide?
The InChIKey is VOJMDUMSNORFEX-SKBSIUSGSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-5-15(2)6-7-16(3)10-18-11-19(14-28-13-18)24(30)29-17(4)23(27)21-12-20(25)8-9-22(21)26/h6-9,11-14,17,27H,5,10,26H2,1-4H3,(H,29,30)/b15-6+,16-7+,27-23+.
What are the key properties of N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide?
N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide has a molecular weight of 424.98 g/mol, XLogP of 5.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-5-chlorophenyl)-1-iminopropan-2-yl]-5-[(2E,4E)-2,5-dimethylhepta-2,4-dienyl]pyridine-3-carboxamide is sourced from PubChem (CID 144881124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).