5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide

C15H15N5O — CID 62983154

IUPAC5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C15H15N5O/c1-20(9-11-4-2-3-10(5-11)7-16)15-13(14(18)21)6-12(17)8-19-15/h2-6,8H,9,17H2,1H3,(H2,18,21)
InChIKeyDUCAYTMPGWAIHG-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.27
Rot. Bonds4

About 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide

5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide (PubChem CID 62983154) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide
PubChem CID62983154
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C15H15N5O/c1-20(9-11-4-2-3-10(5-11)7-16)15-13(14(18)21)6-12(17)8-19-15/h2-6,8H,9,17H2,1H3,(H2,18,21)
InChIKeyDUCAYTMPGWAIHG-UHFFFAOYSA-N
XLogP1.27
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
3-amino-2-[(3-cyanophenyl)methyl-methylamino]benzoic acid
CID 115934917
3-[[(6-acetyl-3-pyridinyl)-methylamino]methyl]benzonitrile
CID 83119462
2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 47170731
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide (CID 62983154) is 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide is CN(Cc1cccc(C#N)c1)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide?
The InChIKey is DUCAYTMPGWAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20(9-11-4-2-3-10(5-11)7-16)15-13(14(18)21)6-12(17)8-19-15/h2-6,8H,9,17H2,1H3,(H2,18,21).
What are the key properties of 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide?
5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 62983154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).