N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C16H20N4O — CID 115498234

IUPACN-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)Nc1cccc(C(=O)N(C)Cc2ccncc2)n1
InChIInChI=1S/C16H20N4O/c1-12(2)18-15-6-4-5-14(19-15)16(21)20(3)11-13-7-9-17-10-8-13/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKeyVUEARLOAQSPKRX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds5

About N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 115498234) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID115498234
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)Nc1cccc(C(=O)N(C)Cc2ccncc2)n1
InChIInChI=1S/C16H20N4O/c1-12(2)18-15-6-4-5-14(19-15)16(21)20(3)11-13-7-9-17-10-8-13/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKeyVUEARLOAQSPKRX-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N-methyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 55052170
N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498349
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472
N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851483
N-methyl-6-(propan-2-ylamino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109109444
N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498285
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498522
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498329
N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498309

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 115498234) is N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is CC(C)Nc1cccc(C(=O)N(C)Cc2ccncc2)n1.
What is the InChIKey of N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VUEARLOAQSPKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)18-15-6-4-5-14(19-15)16(21)20(3)11-13-7-9-17-10-8-13/h4-10,12H,11H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115498234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).