4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide

C12H17ClN2O — CID 103461085

IUPAC4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)8-15-11(16)10-7-9(13)5-6-14-10/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyXGSATTFWSCUCSL-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.90
Rot. Bonds4

About 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide

4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide (PubChem CID 103461085) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
PubChem CID103461085
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)8-15-11(16)10-7-9(13)5-6-14-10/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyXGSATTFWSCUCSL-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-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 9327506
1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide (CID 103461085) is 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide is CCC(C)(C)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide?
The InChIKey is XGSATTFWSCUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-12(2,3)8-15-11(16)10-7-9(13)5-6-14-10/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide?
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-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-(2,2-dimethylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103461085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).