N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide

C19H21N3O — CID 172619007

IUPACN-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)Nc2cccc3[nH]ccc23)nc1
InChIInChI=1S/C19H21N3O/c1-2-3-4-6-14-9-10-18(21-13-14)19(23)22-17-8-5-7-16-15(17)11-12-20-16/h5,7-13,20H,2-4,6H2,1H3,(H,22,23)
InChIKeyBPZMJJSXPQZECZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.55
Rot. Bonds6

About N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide

N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide (PubChem CID 172619007) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide
PubChem CID172619007
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)Nc2cccc3[nH]ccc23)nc1
InChIInChI=1S/C19H21N3O/c1-2-3-4-6-14-9-10-18(21-13-14)19(23)22-17-8-5-7-16-15(17)11-12-20-16/h5,7-13,20H,2-4,6H2,1H3,(H,22,23)
InChIKeyBPZMJJSXPQZECZ-UHFFFAOYSA-N
XLogP4.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619064
5-pentyl-N'-phenylpyridine-2-carbohydrazide
CID 172618878
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 172619049
N-(2-propylphenyl)-1H-indole-4-carboxamide
CID 61273584
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
CID 10068146
2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide
CID 110472744
N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
CID 145488739
2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
CID 172618946
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide?
The IUPAC name of N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide (CID 172619007) is N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide.
What is the SMILES notation for N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide?
The canonical SMILES for N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide is CCCCCc1ccc(C(=O)Nc2cccc3[nH]ccc23)nc1.
What is the InChIKey of N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide?
The InChIKey is BPZMJJSXPQZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-3-4-6-14-9-10-18(21-13-14)19(23)22-17-8-5-7-16-15(17)11-12-20-16/h5,7-13,20H,2-4,6H2,1H3,(H,22,23).
What are the key properties of N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide?
N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide is sourced from PubChem (CID 172619007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).