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

C12H17ClN2O — CID 103875358

IUPAC4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cnccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-4-12(3,5-2)15-11(16)9-8-14-7-6-10(9)13/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyMDEUKTLCPMWRPO-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.04
Rot. Bonds4

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

4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide (PubChem CID 103875358) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
PubChem CID103875358
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cnccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-4-12(3,5-2)15-11(16)9-8-14-7-6-10(9)13/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyMDEUKTLCPMWRPO-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
CID 114037008
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81226748
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 106164489
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114616643
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide (CID 103875358) is 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide is CCC(C)(CC)NC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide?
The InChIKey is MDEUKTLCPMWRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-12(3,5-2)15-11(16)9-8-14-7-6-10(9)13/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide?
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103875358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).