2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide

C14H16N4O — CID 114701808

IUPAC2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCc1ccncc1C
InChIInChI=1S/C14H16N4O/c1-10-8-16-7-5-11(10)9-18-14(19)12-4-3-6-17-13(12)15-2/h3-8H,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAERQVWCMHOMOAH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.76
Rot. Bonds4

About 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide

2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 114701808) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID114701808
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCc1ccncc1C
InChIInChI=1S/C14H16N4O/c1-10-8-16-7-5-11(10)9-18-14(19)12-4-3-6-17-13(12)15-2/h3-8H,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAERQVWCMHOMOAH-UHFFFAOYSA-N
XLogP1.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 114957515
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 62179696
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 114701808) is 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide is CNc1ncccc1C(=O)NCc1ccncc1C.
What is the InChIKey of 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is AERQVWCMHOMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-8-16-7-5-11(10)9-18-14(19)12-4-3-6-17-13(12)15-2/h3-8H,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114701808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).