N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

C16H27N3O — CID 115498522

IUPACN-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C16H27N3O/c1-6-13(5)11-19(7-2)16(20)14-9-8-10-15(18-14)17-12(3)4/h8-10,12-13H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyKZRNYUXJFHKSEK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.41
Rot. Bonds7

About N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 115498522) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID115498522
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C16H27N3O/c1-6-13(5)11-19(7-2)16(20)14-9-8-10-15(18-14)17-12(3)4/h8-10,12-13H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyKZRNYUXJFHKSEK-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498461
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyridine-2-carboxamide
CID 55051171
N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498349
N-ethyl-N-(1-methoxypropan-2-yl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498270
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498329
N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498285
N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 115498234
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295192
N-ethyl-6-hydrazinyl-N-propylpyridine-2-carboxamide
CID 62243182
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
N-ethyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62237151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (CID 115498522) is N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is CCC(C)CN(CC)C(=O)c1cccc(NC(C)C)n1.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is KZRNYUXJFHKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-13(5)11-19(7-2)16(20)14-9-8-10-15(18-14)17-12(3)4/h8-10,12-13H,6-7,11H2,1-5H3,(H,17,18).
What are the key properties of N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 115498522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).