N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide

C14H23N3O — CID 63838456

IUPACN-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(NC)ccn1
InChIInChI=1S/C14H23N3O/c1-5-11(6-2)10(3)17-14(18)13-9-12(15-4)7-8-16-13/h7-11H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeySDMOKURIRIPXTH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide

N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide (PubChem CID 63838456) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide
PubChem CID63838456
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(NC)ccn1
InChIInChI=1S/C14H23N3O/c1-5-11(6-2)10(3)17-14(18)13-9-12(15-4)7-8-16-13/h7-11H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeySDMOKURIRIPXTH-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027853
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-(3-ethylpentan-2-yl)-4-(methylamino)benzamide
CID 63838621
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640576
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175226
N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62179810
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
N-(2,6-diethylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62186111
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide (CID 63838456) is N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide is CCC(CC)C(C)NC(=O)c1cc(NC)ccn1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is SDMOKURIRIPXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-11(6-2)10(3)17-14(18)13-9-12(15-4)7-8-16-13/h7-11H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide?
N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63838456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).