7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide

C18H15ClN4O2 — CID 177229812

IUPAC7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C=C/C(=O)Nc1ccn2c(C(=O)Nc3ccccc3Cl)cnc2c1
InChIInChI=1S/C18H15ClN4O2/c1-2-5-17(24)21-12-8-9-23-15(11-20-16(23)10-12)18(25)22-14-7-4-3-6-13(14)19/h2-11H,1H3,(H,21,24)(H,22,25)/b5-2+
InChIKeyDMPZWWOQOMESAQ-GORDUTHDSA-N
MW354.80 g/mol
LogP3.75
Rot. Bonds4

About 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide

7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 177229812) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID177229812
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C=C/C(=O)Nc1ccn2c(C(=O)Nc3ccccc3Cl)cnc2c1
InChIInChI=1S/C18H15ClN4O2/c1-2-5-17(24)21-12-8-9-23-15(11-20-16(23)10-12)18(25)22-14-7-4-3-6-13(14)19/h2-11H,1H3,(H,21,24)(H,22,25)/b5-2+
InChIKeyDMPZWWOQOMESAQ-GORDUTHDSA-N
XLogP3.75
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 177229812) is 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide is C/C=C/C(=O)Nc1ccn2c(C(=O)Nc3ccccc3Cl)cnc2c1.
What is the InChIKey of 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DMPZWWOQOMESAQ-GORDUTHDSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-2-5-17(24)21-12-8-9-23-15(11-20-16(23)10-12)18(25)22-14-7-4-3-6-13(14)19/h2-11H,1H3,(H,21,24)(H,22,25)/b5-2+.
What are the key properties of 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 177229812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).