5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide

C16H21N3O — CID 63655551

IUPAC5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C16H21N3O/c1-19(12-13-5-2-3-6-13)16(20)15-9-14(7-4-8-17)10-18-11-15/h9-11,13H,2-3,5-6,8,12,17H2,1H3
InChIKeyAONHTGIEHIXWJL-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 63655551) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID63655551
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C16H21N3O/c1-19(12-13-5-2-3-6-13)16(20)15-9-14(7-4-8-17)10-18-11-15/h9-11,13H,2-3,5-6,8,12,17H2,1H3
InChIKeyAONHTGIEHIXWJL-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 64520429
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
CID 63656372
5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide
CID 115115601
5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023049
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79990324
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 63938139
5-(3-aminoprop-1-ynyl)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 80612685
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
5-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
[5-(3-aminoprop-1-ynyl)-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799401

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide (CID 63655551) is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide is CN(CC1CCCC1)C(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is AONHTGIEHIXWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(12-13-5-2-3-6-13)16(20)15-9-14(7-4-8-17)10-18-11-15/h9-11,13H,2-3,5-6,8,12,17H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63655551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).