3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide

C20H26N4O2 — CID 75392325

IUPAC3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1nc(C)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-14-22-18(19-10-6-7-11-24(14)19)13-21-20(26)12-17(23-15(2)25)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyUYYJVZNANWRULQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.41
Rot. Bonds6

About 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide

3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide (PubChem CID 75392325) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide
PubChem CID75392325
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1nc(C)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-14-22-18(19-10-6-7-11-24(14)19)13-21-20(26)12-17(23-15(2)25)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyUYYJVZNANWRULQ-UHFFFAOYSA-N
XLogP2.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate
CID 97008528
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
CID 78810432
3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466203
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228
3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 24611704
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
(3S)-3-acetamido-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 95155438
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide (CID 75392325) is 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NCc1nc(C)n2c1CCCC2)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide?
The InChIKey is UYYJVZNANWRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-22-18(19-10-6-7-11-24(14)19)13-21-20(26)12-17(23-15(2)25)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide?
3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 75392325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).