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

C23H23ClN4O2 — CID 68767376

IUPACN-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CNc1nc2n(c1C(=O)NCc1ccc(Cl)cc1)CCCC2)c1ccccc1
InChIInChI=1S/C23H23ClN4O2/c24-18-11-9-16(10-12-18)14-26-23(30)21-22(27-20-8-4-5-13-28(20)21)25-15-19(29)17-6-2-1-3-7-17/h1-3,6-7,9-12,25H,4-5,8,13-15H2,(H,26,30)
InChIKeyHQJARWHNGFBTCA-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.10
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 68767376) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID68767376
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CNc1nc2n(c1C(=O)NCc1ccc(Cl)cc1)CCCC2)c1ccccc1
InChIInChI=1S/C23H23ClN4O2/c24-18-11-9-16(10-12-18)14-26-23(30)21-22(27-20-8-4-5-13-28(20)21)25-15-19(29)17-6-2-1-3-7-17/h1-3,6-7,9-12,25H,4-5,8,13-15H2,(H,26,30)
InChIKeyHQJARWHNGFBTCA-UHFFFAOYSA-N
XLogP4.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate
CID 91429843
ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate
CID 68903510
ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate
CID 68901043
2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68768473
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 71739347
1-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylethanone
CID 3623419
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852645
N-[(4-chlorophenyl)methyl]-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074103
2-[butyl-(3-chlorobenzoyl)amino]-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68766886
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68769480

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 68767376) is N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is O=C(CNc1nc2n(c1C(=O)NCc1ccc(Cl)cc1)CCCC2)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HQJARWHNGFBTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-18-11-9-16(10-12-18)14-26-23(30)21-22(27-20-8-4-5-13-28(20)21)25-15-19(29)17-6-2-1-3-7-17/h1-3,6-7,9-12,25H,4-5,8,13-15H2,(H,26,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 68767376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).