5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide

C13H16N4O2 — CID 103722252

IUPAC5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O2/c1-9(12(18)15-2)8-17(3)13(19)11-5-4-10(6-14)7-16-11/h4-5,7,9H,8H2,1-3H3,(H,15,18)
InChIKeyNIIFRWWKLCTQBO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.41
Rot. Bonds4

About 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide

5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (PubChem CID 103722252) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
PubChem CID103722252
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O2/c1-9(12(18)15-2)8-17(3)13(19)11-5-4-10(6-14)7-16-11/h4-5,7,9H,8H2,1-3H3,(H,15,18)
InChIKeyNIIFRWWKLCTQBO-UHFFFAOYSA-N
XLogP0.41
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670
5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
CID 86783276
6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 103790374
ethyl 2-[(5-cyanopyridine-2-carbonyl)-methylamino]acetate
CID 55231343
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63770699
ethyl 3-[(5-cyanopyridine-2-carbonyl)-methylamino]propanoate
CID 63717533
5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55230950
5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63718577
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63718606
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (CID 103722252) is 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is CNC(=O)C(C)CN(C)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The InChIKey is NIIFRWWKLCTQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(12(18)15-2)8-17(3)13(19)11-5-4-10(6-14)7-16-11/h4-5,7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 103722252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).