3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide

C14H22ClN3O — CID 66484293

IUPAC3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C14H22ClN3O/c1-10(2)7-11(9-18(3)4)17-14(19)12-5-6-16-8-13(12)15/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,19)
InChIKeyYOSVRRKSEFZVQV-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.44
Rot. Bonds6

About 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide

3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide (PubChem CID 66484293) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
PubChem CID66484293
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C14H22ClN3O/c1-10(2)7-11(9-18(3)4)17-14(19)12-5-6-16-8-13(12)15/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,19)
InChIKeyYOSVRRKSEFZVQV-UHFFFAOYSA-N
XLogP2.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
5-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 114922690
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
CID 103892256
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 114300849
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide (CID 66484293) is 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide is CC(C)CC(CN(C)C)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide?
The InChIKey is YOSVRRKSEFZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)7-11(9-18(3)4)17-14(19)12-5-6-16-8-13(12)15/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,19).
What are the key properties of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide?
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 66484293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).