6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide

C14H15N3O — CID 133362088

IUPAC6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC2CC=CC2)nc1
InChIInChI=1S/C14H15N3O/c1-2-9-15-14(18)11-7-8-13(16-10-11)17-12-5-3-4-6-12/h1,3-4,7-8,10,12H,5-6,9H2,(H,15,18)(H,16,17)
InChIKeyBSNPLACMQZVJKF-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.58
Rot. Bonds4

About 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide

6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133362088) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133362088
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC2CC=CC2)nc1
InChIInChI=1S/C14H15N3O/c1-2-9-15-14(18)11-7-8-13(16-10-11)17-12-5-3-4-6-12/h1,3-4,7-8,10,12H,5-6,9H2,(H,15,18)(H,16,17)
InChIKeyBSNPLACMQZVJKF-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 71931528
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133357122
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133399815
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486904
6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133316628
N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide
CID 133327135
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325827
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide (CID 133362088) is 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(NC2CC=CC2)nc1.
What is the InChIKey of 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is BSNPLACMQZVJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-9-15-14(18)11-7-8-13(16-10-11)17-12-5-3-4-6-12/h1,3-4,7-8,10,12H,5-6,9H2,(H,15,18)(H,16,17).
What are the key properties of 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide?
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133362088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).