N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C18H17ClN4O — CID 4294253

IUPACN-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-3-15(13-7-9-14(19)10-8-13)21-22-18(24)17-12(2)20-16-6-4-5-11-23(16)17/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyTXBXJDGOPFUMNS-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 4294253) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID4294253
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-3-15(13-7-9-14(19)10-8-13)21-22-18(24)17-12(2)20-16-6-4-5-11-23(16)17/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyTXBXJDGOPFUMNS-UHFFFAOYSA-N
XLogP3.84
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 4294253) is N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is TXBXJDGOPFUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-3-15(13-7-9-14(19)10-8-13)21-22-18(24)17-12(2)20-16-6-4-5-11-23(16)17/h4-11H,3H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 4294253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).