N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide

C17H15ClN4O2 — CID 166517595

IUPACN'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1)NCc1cn2ccccc2n1
InChIInChI=1S/C17H15ClN4O2/c18-12-4-3-5-13(8-12)21-17(24)9-16(23)19-10-14-11-22-7-2-1-6-15(22)20-14/h1-8,11H,9-10H2,(H,19,23)(H,21,24)
InChIKeySCFFYUAZFIHDAA-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.63
Rot. Bonds5

About N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide

N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide (PubChem CID 166517595) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide
PubChem CID166517595
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1)NCc1cn2ccccc2n1
InChIInChI=1S/C17H15ClN4O2/c18-12-4-3-5-13(8-12)21-17(24)9-16(23)19-10-14-11-22-7-2-1-6-15(22)20-14/h1-8,11H,9-10H2,(H,19,23)(H,21,24)
InChIKeySCFFYUAZFIHDAA-UHFFFAOYSA-N
XLogP2.63
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226356
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 8917153
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 8917219
1-(3-chlorophenyl)-3-(2-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121149709
3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429914
4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582434
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
N-[(3-chlorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 9402179
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 877528
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide (CID 166517595) is N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1)NCc1cn2ccccc2n1.
What is the InChIKey of N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide?
The InChIKey is SCFFYUAZFIHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-12-4-3-5-13(8-12)21-17(24)9-16(23)19-10-14-11-22-7-2-1-6-15(22)20-14/h1-8,11H,9-10H2,(H,19,23)(H,21,24).
What are the key properties of N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide?
N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide has a molecular weight of 342.79 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 166517595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).