5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C14H16N4O — CID 54916915

IUPAC5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C14H16N4O/c1-10-13(6-12(15)8-17-10)14(19)18(2)9-11-4-3-5-16-7-11/h3-8H,9,15H2,1-2H3
InChIKeySFEJZIAUEJTSOX-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds3

About 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 54916915) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID54916915
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C14H16N4O/c1-10-13(6-12(15)8-17-10)14(19)18(2)9-11-4-3-5-16-7-11/h3-8H,9,15H2,1-2H3
InChIKeySFEJZIAUEJTSOX-UHFFFAOYSA-N
XLogP1.64
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
5-amino-N,2-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 61040317
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43643792
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
N,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 78893836

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 54916915) is 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)N(C)Cc1cccnc1.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SFEJZIAUEJTSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-13(6-12(15)8-17-10)14(19)18(2)9-11-4-3-5-16-7-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 54916915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).