2-chloro-N-pent-3-ynylpyridine-4-carboxamide

C11H11ClN2O — CID 115977384

IUPAC2-chloro-N-pent-3-ynylpyridine-4-carboxamide
SMILESCC#CCCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-2-3-4-6-14-11(15)9-5-7-13-10(12)8-9/h5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyFRLDRUOKFUMBMR-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.88
Rot. Bonds3

About 2-chloro-N-pent-3-ynylpyridine-4-carboxamide

2-chloro-N-pent-3-ynylpyridine-4-carboxamide (PubChem CID 115977384) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-N-pent-3-ynylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-pent-3-ynylpyridine-4-carboxamide
PubChem CID115977384
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-N-pent-3-ynylpyridine-4-carboxamide
SMILESCC#CCCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-2-3-4-6-14-11(15)9-5-7-13-10(12)8-9/h5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyFRLDRUOKFUMBMR-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
4-hydroxy-3-methyl-N-pent-3-ynylbenzamide
CID 104581098
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
3,4-diethoxy-N-pent-3-ynylbenzamide
CID 115977163
2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 56805447
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
3-amino-4-methyl-N-pent-3-ynylbenzamide
CID 116642528
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pent-3-ynylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-pent-3-ynylpyridine-4-carboxamide (CID 115977384) is 2-chloro-N-pent-3-ynylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-pent-3-ynylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-pent-3-ynylpyridine-4-carboxamide is CC#CCCNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-pent-3-ynylpyridine-4-carboxamide?
The InChIKey is FRLDRUOKFUMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-3-4-6-14-11(15)9-5-7-13-10(12)8-9/h5,7-8H,4,6H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-pent-3-ynylpyridine-4-carboxamide?
2-chloro-N-pent-3-ynylpyridine-4-carboxamide has a molecular weight of 222.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pent-3-ynylpyridine-4-carboxamide is sourced from PubChem (CID 115977384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).