2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide

C13H14N4O — CID 75374046

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide
SMILESCN(Cc1ccncc1)c1cc(C(N)=O)ccn1
InChIInChI=1S/C13H14N4O/c1-17(9-10-2-5-15-6-3-10)12-8-11(13(14)18)4-7-16-12/h2-8H,9H2,1H3,(H2,14,18)
InChIKeyHNHDYIXWFXAWSY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.21
Rot. Bonds4

About 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide

2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide (PubChem CID 75374046) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide
PubChem CID75374046
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide
SMILESCN(Cc1ccncc1)c1cc(C(N)=O)ccn1
InChIInChI=1S/C13H14N4O/c1-17(9-10-2-5-15-6-3-10)12-8-11(13(14)18)4-7-16-12/h2-8H,9H2,1H3,(H2,14,18)
InChIKeyHNHDYIXWFXAWSY-UHFFFAOYSA-N
XLogP1.21
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide (CID 75374046) is 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide is CN(Cc1ccncc1)c1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide?
The InChIKey is HNHDYIXWFXAWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17(9-10-2-5-15-6-3-10)12-8-11(13(14)18)4-7-16-12/h2-8H,9H2,1H3,(H2,14,18).
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide?
2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 75374046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).