N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide

C16H27N3O — CID 62238841

IUPACN-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)C(C)CC(C)C)n1
InChIInChI=1S/C16H27N3O/c1-6-10-17-15-9-7-8-14(18-15)16(20)19(5)13(4)11-12(2)3/h7-9,12-13H,6,10-11H2,1-5H3,(H,17,18)
InChIKeyBAHOVQZGEGMIFZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.41
Rot. Bonds7

About N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide

N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62238841) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62238841
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)C(C)CC(C)C)n1
InChIInChI=1S/C16H27N3O/c1-6-10-17-15-9-7-8-14(18-15)16(20)19(5)13(4)11-12(2)3/h7-9,12-13H,6,10-11H2,1-5H3,(H,17,18)
InChIKeyBAHOVQZGEGMIFZ-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-methyl-N-pentan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 55052478
N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 112664197
N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 55173969
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 63499181
N-(cyclobutylmethyl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62856982
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
CID 97313105
6-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664427

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide (CID 62238841) is N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)N(C)C(C)CC(C)C)n1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is BAHOVQZGEGMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-10-17-15-9-7-8-14(18-15)16(20)19(5)13(4)11-12(2)3/h7-9,12-13H,6,10-11H2,1-5H3,(H,17,18).
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)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-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62238841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).