N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide

C12H16N4O — CID 104641279

IUPACN-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)C(C)CC#N)nc1
InChIInChI=1S/C12H16N4O/c1-9(6-7-13)16(3)12(17)11-5-4-10(14-2)8-15-11/h4-5,8-9,14H,6H2,1-3H3
InChIKeySAXJVZJETNQAMX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.50
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide

N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104641279) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
PubChem CID104641279
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)C(C)CC#N)nc1
InChIInChI=1S/C12H16N4O/c1-9(6-7-13)16(3)12(17)11-5-4-10(14-2)8-15-11/h4-5,8-9,14H,6H2,1-3H3
InChIKeySAXJVZJETNQAMX-UHFFFAOYSA-N
XLogP1.50
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640934
6-[1-cyanopropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 55175516
5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63228590
3-[6-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76988422
N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104639804
N-(1-cyclopropylethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 113436100
5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 113436082
5-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095741
6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63224800
N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104640516
N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 114035010
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
CID 63224492

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide (CID 104641279) is N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)N(C)C(C)CC#N)nc1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is SAXJVZJETNQAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(6-7-13)16(3)12(17)11-5-4-10(14-2)8-15-11/h4-5,8-9,14H,6H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide?
N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.50, 4 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-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).