4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide

C12H17ClN2O — CID 81226748

IUPAC4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-11(8(2)3)15-12(16)9-7-14-6-5-10(9)13/h5-8,11H,4H2,1-3H3,(H,15,16)
InChIKeyZGMXBTDDLSDPBF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.90
Rot. Bonds4

About 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide

4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide (PubChem CID 81226748) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
PubChem CID81226748
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-11(8(2)3)15-12(16)9-7-14-6-5-10(9)13/h5-8,11H,4H2,1-3H3,(H,15,16)
InChIKeyZGMXBTDDLSDPBF-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide
CID 81226543
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
2-hydroxy-N-(2-methylpentan-3-yl)benzamide
CID 61465472
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 81227390
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
3-chloro-6-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 55047136
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
CID 81227397
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide (CID 81226748) is 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide is CCC(NC(=O)c1cnccc1Cl)C(C)C.
What is the InChIKey of 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide?
The InChIKey is ZGMXBTDDLSDPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-11(8(2)3)15-12(16)9-7-14-6-5-10(9)13/h5-8,11H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide?
4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81226748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).