6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide

C16H15ClN4O — CID 143999736

IUPAC6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C16H15ClN4O/c1-18-16(22)12-9-21-15(17)7-14(12)20-8-10-3-2-4-13-11(10)5-6-19-13/h2-7,9,19H,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyKCJJWIKKPVGOOF-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.19
Rot. Bonds4

About 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide

6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide (PubChem CID 143999736) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
PubChem CID143999736
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C16H15ClN4O/c1-18-16(22)12-9-21-15(17)7-14(12)20-8-10-3-2-4-13-11(10)5-6-19-13/h2-7,9,19H,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyKCJJWIKKPVGOOF-UHFFFAOYSA-N
XLogP3.19
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol
CID 107679377
6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide
CID 86814852
4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide
CID 67501618
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676411
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
CID 167902428
N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
CID 79478764
6-chloro-4-[[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]amino]-N-methylpyridine-3-carboxamide
CID 90135455
methyl 5-chloro-2-(1H-indol-4-ylmethyl)benzoate
CID 161242835

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide (CID 143999736) is 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Cl)cc1NCc1cccc2[nH]ccc12.
What is the InChIKey of 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is KCJJWIKKPVGOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-18-16(22)12-9-21-15(17)7-14(12)20-8-10-3-2-4-13-11(10)5-6-19-13/h2-7,9,19H,8H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide?
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 143999736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).