N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide

C23H20ClN3O — CID 2353710

IUPACN-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1CCc1ccncc1
InChIInChI=1S/C23H20ClN3O/c1-16-20(10-5-17-11-13-25-14-12-17)27-15-3-2-4-21(27)22(16)23(28)26-19-8-6-18(24)7-9-19/h2-4,6-9,11-15H,5,10H2,1H3,(H,26,28)
InChIKeyHYYNDJCSIMZIJW-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.33
Rot. Bonds5

About N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide

N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide (PubChem CID 2353710) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
PubChem CID2353710
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC NameN-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1CCc1ccncc1
InChIInChI=1S/C23H20ClN3O/c1-16-20(10-5-17-11-13-25-14-12-17)27-15-3-2-4-21(27)22(16)23(28)26-19-8-6-18(24)7-9-19/h2-4,6-9,11-15H,5,10H2,1H3,(H,26,28)
InChIKeyHYYNDJCSIMZIJW-UHFFFAOYSA-N
XLogP5.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
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Pyrrolopyridine, 20
CID 16720090
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CID 16720432

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide (CID 2353710) is N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1CCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
The InChIKey is HYYNDJCSIMZIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16-20(10-5-17-11-13-25-14-12-17)27-15-3-2-4-21(27)22(16)23(28)26-19-8-6-18(24)7-9-19/h2-4,6-9,11-15H,5,10H2,1H3,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide is sourced from PubChem (CID 2353710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).