5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C22H22N4O2 — CID 164884738

IUPAC5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)nc2)cc1
InChIInChI=1S/C22H22N4O2/c1-16(27)26(2)15-17-5-7-19(8-6-17)20-9-10-21(24-14-20)22(28)25-13-18-4-3-11-23-12-18/h3-12,14H,13,15H2,1-2H3,(H,25,28)
InChIKeyFVJZUJSYFFPMRP-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.05
Rot. Bonds6

About 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 164884738) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID164884738
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)nc2)cc1
InChIInChI=1S/C22H22N4O2/c1-16(27)26(2)15-17-5-7-19(8-6-17)20-9-10-21(24-14-20)22(28)25-13-18-4-3-11-23-12-18/h3-12,14H,13,15H2,1-2H3,(H,25,28)
InChIKeyFVJZUJSYFFPMRP-UHFFFAOYSA-N
XLogP3.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 164884738) is 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is CC(=O)N(C)Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)nc2)cc1.
What is the InChIKey of 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FVJZUJSYFFPMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(27)26(2)15-17-5-7-19(8-6-17)20-9-10-21(24-14-20)22(28)25-13-18-4-3-11-23-12-18/h3-12,14H,13,15H2,1-2H3,(H,25,28).
What are the key properties of 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164884738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).