N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide

C9H10N4O — CID 126986999

IUPACN-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCC#N)cn1
InChIInChI=1S/C9H10N4O/c1-11-8-3-2-7(6-13-8)9(14)12-5-4-10/h2-3,6H,5H2,1H3,(H,11,13)(H,12,14)
InChIKeyCBJLRZCSQMDEGN-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.38
Rot. Bonds3

About N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide

N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 126986999) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID126986999
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCC#N)cn1
InChIInChI=1S/C9H10N4O/c1-11-8-3-2-7(6-13-8)9(14)12-5-4-10/h2-3,6H,5H2,1H3,(H,11,13)(H,12,14)
InChIKeyCBJLRZCSQMDEGN-UHFFFAOYSA-N
XLogP0.38
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226
N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 64583359
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522
N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
CID 62175314
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522150
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide (CID 126986999) is N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)NCC#N)cn1.
What is the InChIKey of N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is CBJLRZCSQMDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-11-8-3-2-7(6-13-8)9(14)12-5-4-10/h2-3,6H,5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide?
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 190.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126986999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).