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

C11H11ClN2O — CID 104581063

IUPAC4-chloro-N-pent-3-ynylpyridine-3-carboxamide
SMILESCC#CCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-3-4-6-14-11(15)9-8-13-7-5-10(9)12/h5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyMHQAMUBVHZCVGU-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.88
Rot. Bonds3

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

4-chloro-N-pent-3-ynylpyridine-3-carboxamide (PubChem CID 104581063) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-N-pent-3-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-pent-3-ynylpyridine-3-carboxamide
PubChem CID104581063
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-chloro-N-pent-3-ynylpyridine-3-carboxamide
SMILESCC#CCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-3-4-6-14-11(15)9-8-13-7-5-10(9)12/h5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyMHQAMUBVHZCVGU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-pent-3-ynylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
CID 104927006
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114616643
4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
CID 115869248
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
2-chloro-N-pent-3-ynylpyridine-4-carboxamide
CID 115977384
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pent-3-ynylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-pent-3-ynylpyridine-3-carboxamide (CID 104581063) is 4-chloro-N-pent-3-ynylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-pent-3-ynylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-pent-3-ynylpyridine-3-carboxamide is CC#CCCNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-pent-3-ynylpyridine-3-carboxamide?
The InChIKey is MHQAMUBVHZCVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-3-4-6-14-11(15)9-8-13-7-5-10(9)12/h5,7-8H,4,6H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-pent-3-ynylpyridine-3-carboxamide?
4-chloro-N-pent-3-ynylpyridine-3-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 4-chloro-N-pent-3-ynylpyridine-3-carboxamide is sourced from PubChem (CID 104581063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).