3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide

C22H28N4O2 — CID 110122116

IUPAC3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCC(=O)NCc1cccc(-c2cccnc2C(=O)NCC2CCCN(C)C2)c1
InChIInChI=1S/C22H28N4O2/c1-16(27)24-13-17-6-3-8-19(12-17)20-9-4-10-23-21(20)22(28)25-14-18-7-5-11-26(2)15-18/h3-4,6,8-10,12,18H,5,7,11,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNLJFLPRCCYXJFU-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.46
Rot. Bonds6

About 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide

3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 110122116) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
PubChem CID110122116
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCC(=O)NCc1cccc(-c2cccnc2C(=O)NCC2CCCN(C)C2)c1
InChIInChI=1S/C22H28N4O2/c1-16(27)24-13-17-6-3-8-19(12-17)20-9-4-10-23-21(20)22(28)25-14-18-7-5-11-26(2)15-18/h3-4,6,8-10,12,18H,5,7,11,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNLJFLPRCCYXJFU-UHFFFAOYSA-N
XLogP2.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
3-[3-(acetamidomethyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]pyridine-2-carboxamide
CID 110122093
3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 125011392
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 110122105
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
N-[[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]acetamide;1-(cyclobutylmethyl)azetidine;ethane
CID 156817229
3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110122025
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440

Frequently Asked Questions

What is the IUPAC name of 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide (CID 110122116) is 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide is CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC2CCCN(C)C2)c1.
What is the InChIKey of 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NLJFLPRCCYXJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(27)24-13-17-6-3-8-19(12-17)20-9-4-10-23-21(20)22(28)25-14-18-7-5-11-26(2)15-18/h3-4,6,8-10,12,18H,5,7,11,13-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110122116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).