3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide

C23H22N4O2 — CID 97441738

IUPAC3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
SMILESCOc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccccn4)cn23)cc1
InChIInChI=1S/C23H22N4O2/c1-26(19-8-11-21(29-2)12-9-19)22-13-10-20-7-6-17(16-27(20)22)23(28)25-15-18-5-3-4-14-24-18/h3-14,16H,15H2,1-2H3,(H,25,28)
InChIKeyKRMOPNUYCXILLU-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.04
Rot. Bonds6

About 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide

3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide (PubChem CID 97441738) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
PubChem CID97441738
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
SMILESCOc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccccn4)cn23)cc1
InChIInChI=1S/C23H22N4O2/c1-26(19-8-11-21(29-2)12-9-19)22-13-10-20-7-6-17(16-27(20)22)23(28)25-15-18-5-3-4-14-24-18/h3-14,16H,15H2,1-2H3,(H,25,28)
InChIKeyKRMOPNUYCXILLU-UHFFFAOYSA-N
XLogP4.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide
CID 97441752
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
CID 2676862
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57401810
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide (CID 97441738) is 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide is COc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccccn4)cn23)cc1.
What is the InChIKey of 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
The InChIKey is KRMOPNUYCXILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26(19-8-11-21(29-2)12-9-19)22-13-10-20-7-6-17(16-27(20)22)23(28)25-15-18-5-3-4-14-24-18/h3-14,16H,15H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide is sourced from PubChem (CID 97441738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).