5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide

C15H19N3O2 — CID 62086672

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
SMILESCOC1CCCC1NC(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C15H19N3O2/c1-20-14-6-2-5-13(14)18-15(19)12-8-11(4-3-7-16)9-17-10-12/h8-10,13-14H,2,5-7,16H2,1H3,(H,18,19)
InChIKeyXJPKLEZYLIFFAH-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.69
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide (PubChem CID 62086672) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
PubChem CID62086672
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
SMILESCOC1CCCC1NC(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C15H19N3O2/c1-20-14-6-2-5-13(14)18-15(19)12-8-11(4-3-7-16)9-17-10-12/h8-10,13-14H,2,5-7,16H2,1H3,(H,18,19)
InChIKeyXJPKLEZYLIFFAH-UHFFFAOYSA-N
XLogP0.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 83035251
5-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
CID 110125585
5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023049
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
CID 110125986
3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104764922
5-(3-aminoprop-1-ynyl)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 80612685
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide (CID 62086672) is 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide is COC1CCCC1NC(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
The InChIKey is XJPKLEZYLIFFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-14-6-2-5-13(14)18-15(19)12-8-11(4-3-7-16)9-17-10-12/h8-10,13-14H,2,5-7,16H2,1H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 62086672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).