1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H26N4O2 — CID 109072279

IUPAC1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NC(C)c2ccccc2)c2n1CCCC2
InChIInChI=1S/C20H26N4O2/c1-3-12-21-20(26)18-23-17(16-11-7-8-13-24(16)18)19(25)22-14(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyYWNABWVLFPLYGJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.85
Rot. Bonds6

About 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072279) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072279
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NC(C)c2ccccc2)c2n1CCCC2
InChIInChI=1S/C20H26N4O2/c1-3-12-21-20(26)18-23-17(16-11-7-8-13-24(16)18)19(25)22-14(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyYWNABWVLFPLYGJ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074975
3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076293
1-N-(2-propan-2-ylphenyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072340
1-N-[(2-fluorophenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072281
3-N-propyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072289
1-(4-phenylpiperazine-1-carbonyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072302
1-(morpholine-4-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075341
1-N-[(4-methylphenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072278
1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072136
1-N-butan-2-yl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073890
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
3-N-prop-2-enyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072098

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072279) is 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCNC(=O)c1nc(C(=O)NC(C)c2ccccc2)c2n1CCCC2.
What is the InChIKey of 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YWNABWVLFPLYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-12-21-20(26)18-23-17(16-11-7-8-13-24(16)18)19(25)22-14(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).