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

C23H20ClN3O — CID 2353203

IUPACN-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1CCc1ccncc1
InChIInChI=1S/C23H20ClN3O/c1-16-20(9-8-17-10-12-25-13-11-17)27-14-3-2-7-21(27)22(16)23(28)26-19-6-4-5-18(24)15-19/h2-7,10-15H,8-9H2,1H3,(H,26,28)
InChIKeyPCYUPALWQWEQGM-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.33
Rot. Bonds5

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

N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide (PubChem CID 2353203) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
PubChem CID2353203
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC NameN-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1CCc1ccncc1
InChIInChI=1S/C23H20ClN3O/c1-16-20(9-8-17-10-12-25-13-11-17)27-14-3-2-7-21(27)22(16)23(28)26-19-6-4-5-18(24)15-19/h2-7,10-15H,8-9H2,1H3,(H,26,28)
InChIKeyPCYUPALWQWEQGM-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

2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
ethyl 4-[(3-chlorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 4168784
N-(3-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 19022893
3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070858
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-2-[[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1169039
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-(3-chlorophenyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46274067

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide (CID 2353203) is N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1CCc1ccncc1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
The InChIKey is PCYUPALWQWEQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16-20(9-8-17-10-12-25-13-11-17)27-14-3-2-7-21(27)22(16)23(28)26-19-6-4-5-18(24)15-19/h2-7,10-15H,8-9H2,1H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide?
N-(3-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-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide is sourced from PubChem (CID 2353203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).