N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide

C14H20N4O — CID 55173969

IUPACN-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)C(C)CC#N)n1
InChIInChI=1S/C14H20N4O/c1-4-10-16-13-7-5-6-12(17-13)14(19)18(3)11(2)8-9-15/h5-7,11H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyJNDURBZFIPOOIF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds6

About N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide

N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide (PubChem CID 55173969) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
PubChem CID55173969
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)C(C)CC#N)n1
InChIInChI=1S/C14H20N4O/c1-4-10-16-13-7-5-6-12(17-13)14(19)18(3)11(2)8-9-15/h5-7,11H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyJNDURBZFIPOOIF-UHFFFAOYSA-N
XLogP2.28
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 55052478
N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62238841
N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 112664197
6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63224800
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-(cyclobutylmethyl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62856982
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 63228421
1-(1-cyanopropan-2-yl)-1-methyl-3-propylurea
CID 63224450
N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104641279
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide (CID 55173969) is N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)N(C)C(C)CC#N)n1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is JNDURBZFIPOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-10-16-13-7-5-6-12(17-13)14(19)18(3)11(2)8-9-15/h5-7,11H,4,8,10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 55173969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).