5-chloro-N-hex-5-ynylpyridine-2-carboxamide

C12H13ClN2O — CID 103757956

IUPAC5-chloro-N-hex-5-ynylpyridine-2-carboxamide
SMILESC#CCCCCNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-3-4-5-8-14-12(16)11-7-6-10(13)9-15-11/h1,6-7,9H,3-5,8H2,(H,14,16)
InChIKeyGQIZHYYSRXLBQS-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.27
Rot. Bonds5

About 5-chloro-N-hex-5-ynylpyridine-2-carboxamide

5-chloro-N-hex-5-ynylpyridine-2-carboxamide (PubChem CID 103757956) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 5-chloro-N-hex-5-ynylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-hex-5-ynylpyridine-2-carboxamide
PubChem CID103757956
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name5-chloro-N-hex-5-ynylpyridine-2-carboxamide
SMILESC#CCCCCNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-3-4-5-8-14-12(16)11-7-6-10(13)9-15-11/h1,6-7,9H,3-5,8H2,(H,14,16)
InChIKeyGQIZHYYSRXLBQS-UHFFFAOYSA-N
XLogP2.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.27
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'}

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Related Compounds

5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide
CID 106846441
5-nitro-N-pent-4-ynylpyridine-2-carboxamide
CID 162753441
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
4-chloro-N-hex-5-ynyl-1H-pyrrole-2-carboxamide
CID 103758035
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
N-hex-5-ynyl-1H-pyrazole-4-carboxamide
CID 103757880
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hex-5-ynylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-hex-5-ynylpyridine-2-carboxamide (CID 103757956) is 5-chloro-N-hex-5-ynylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-hex-5-ynylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-hex-5-ynylpyridine-2-carboxamide is C#CCCCCNC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-hex-5-ynylpyridine-2-carboxamide?
The InChIKey is GQIZHYYSRXLBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-3-4-5-8-14-12(16)11-7-6-10(13)9-15-11/h1,6-7,9H,3-5,8H2,(H,14,16).
What are the key properties of 5-chloro-N-hex-5-ynylpyridine-2-carboxamide?
5-chloro-N-hex-5-ynylpyridine-2-carboxamide has a molecular weight of 236.70 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hex-5-ynylpyridine-2-carboxamide is sourced from PubChem (CID 103757956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).