3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H21ClN4O2 — CID 109073057

IUPAC3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)n2c1CCCC2
InChIInChI=1S/C19H21ClN4O2/c1-2-10-21-18(25)16-15-5-3-4-11-24(15)17(23-16)19(26)22-12-13-6-8-14(20)9-7-13/h2,6-9H,1,3-5,10-12H2,(H,21,25)(H,22,26)
InChIKeyKSNSYRMVWOZJAI-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.72
Rot. Bonds6

About 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073057) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073057
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)n2c1CCCC2
InChIInChI=1S/C19H21ClN4O2/c1-2-10-21-18(25)16-15-5-3-4-11-24(15)17(23-16)19(26)22-12-13-6-8-14(20)9-7-13/h2,6-9H,1,3-5,10-12H2,(H,21,25)(H,22,26)
InChIKeyKSNSYRMVWOZJAI-UHFFFAOYSA-N
XLogP2.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073048
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073064
3-N-[(4-chlorophenyl)methyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072439
N-[(4-chlorophenyl)methyl]-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074103
3-N-[(4-chlorophenyl)methyl]-1-N-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072747
1-N-(2,4-dichlorophenyl)-3-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073321
3-N-prop-2-enyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072098
3-N-(3,4-difluorophenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073179
3-N-[2-(2-fluorophenyl)ethyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073067
3-N-tert-butyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073087
3-N-(2,6-dimethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073109
3-N-(2,6-diethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073118

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073057) is 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)n2c1CCCC2.
What is the InChIKey of 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is KSNSYRMVWOZJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-2-10-21-18(25)16-15-5-3-4-11-24(15)17(23-16)19(26)22-12-13-6-8-14(20)9-7-13/h2,6-9H,1,3-5,10-12H2,(H,21,25)(H,22,26).
What are the key properties of 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).