4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide

C10H11ClN2O — CID 114616643

IUPAC4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
SMILESC=C(C)CNC(=O)c1cnccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-7(2)5-13-10(14)8-6-12-4-3-9(8)11/h3-4,6H,1,5H2,2H3,(H,13,14)
InChIKeyXYHMBBFMQPKTIO-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.04
Rot. Bonds3

About 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide

4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide (PubChem CID 114616643) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
PubChem CID114616643
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
SMILESC=C(C)CNC(=O)c1cnccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-7(2)5-13-10(14)8-6-12-4-3-9(8)11/h3-4,6H,1,5H2,2H3,(H,13,14)
InChIKeyXYHMBBFMQPKTIO-UHFFFAOYSA-N
XLogP2.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
CID 81229372
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 81233183
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
CID 104927006
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide (CID 114616643) is 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide is C=C(C)CNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide?
The InChIKey is XYHMBBFMQPKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(2)5-13-10(14)8-6-12-4-3-9(8)11/h3-4,6H,1,5H2,2H3,(H,13,14).
What are the key properties of 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide?
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide has a molecular weight of 210.66 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide is sourced from PubChem (CID 114616643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).