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

C18H17ClN4O — CID 6060729

IUPACN-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC/C(=N\NC(=O)C1=C(N=C2N1C=CC=C2)C)/C3=CC=C(C=C3)Cl
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)/b21-15+
InChIKeyTXBXJDGOPFUMNS-RCCKNPSSSA-N
MW340.80 g/mol
LogP4.70
Rot. Bonds4

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

N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 6060729) has the molecular formula C18H17ClN4O and a molecular weight of 340.80 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID6060729
Molecular FormulaC18H17ClN4O
Molecular Weight340.80 g/mol
Exact Mass340.11
IUPAC NameN-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC/C(=N\NC(=O)C1=C(N=C2N1C=CC=C2)C)/C3=CC=C(C=C3)Cl
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)/b21-15+
InChIKeyTXBXJDGOPFUMNS-RCCKNPSSSA-N
XLogP4.70
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity476

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

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6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 6060729) is N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CC/C(=N\NC(=O)C1=C(N=C2N1C=CC=C2)C)/C3=CC=C(C=C3)Cl.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is TXBXJDGOPFUMNS-RCCKNPSSSA-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)/b21-15+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 340.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 6060729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).