4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide

C24H19N5O2 — CID 97442209

IUPAC4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)NCc2cccnc2)c2ccccn23)cc1
InChIInChI=1S/C24H19N5O2/c1-31-18-9-7-17(8-10-18)22-21-20(24(30)26-14-16-5-4-11-25-13-16)19-6-2-3-12-29(19)23(21)28-15-27-22/h2-13,15H,14H2,1H3,(H,26,30)
InChIKeyIGTLJQNVBRRVMD-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.88
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide

4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide (PubChem CID 97442209) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
PubChem CID97442209
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)NCc2cccnc2)c2ccccn23)cc1
InChIInChI=1S/C24H19N5O2/c1-31-18-9-7-17(8-10-18)22-21-20(24(30)26-14-16-5-4-11-25-13-16)19-6-2-3-12-29(19)23(21)28-15-27-22/h2-13,15H,14H2,1H3,(H,26,30)
InChIKeyIGTLJQNVBRRVMD-UHFFFAOYSA-N
XLogP3.88
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
CID 97407151
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051619
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 134793631
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
6-(4-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807730
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800225
1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 123570891
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide (CID 97442209) is 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide is COc1ccc(-c2ncnc3c2c(C(=O)NCc2cccnc2)c2ccccn23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The InChIKey is IGTLJQNVBRRVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-31-18-9-7-17(8-10-18)22-21-20(24(30)26-14-16-5-4-11-25-13-16)19-6-2-3-12-29(19)23(21)28-15-27-22/h2-13,15H,14H2,1H3,(H,26,30).
What are the key properties of 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide is sourced from PubChem (CID 97442209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).