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N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C23H20N4O2 — CID 99928409

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c([C@@H](NC(=O)c2cnc3ccccn3c2=O)c2cccnc2)c1
InChIInChI=1S/C23H20N4O2/c1-15-8-9-16(2)18(12-15)21(17-6-5-10-24-13-17)26-22(28)19-14-25-20-7-3-4-11-27(20)23(19)29/h3-14,21H,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyYBTOCVGDJDXDHK-NRFANRHFSA-N
MW384.44 g/mol
LogP3.23
Rot. Bonds4

About N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 99928409) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID99928409
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c([C@@H](NC(=O)c2cnc3ccccn3c2=O)c2cccnc2)c1
InChIInChI=1S/C23H20N4O2/c1-15-8-9-16(2)18(12-15)21(17-6-5-10-24-13-17)26-22(28)19-14-25-20-7-3-4-11-27(20)23(19)29/h3-14,21H,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyYBTOCVGDJDXDHK-NRFANRHFSA-N
XLogP3.23
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 99928409) is N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc(C)c([C@@H](NC(=O)c2cnc3ccccn3c2=O)c2cccnc2)c1.
What is the InChIKey of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YBTOCVGDJDXDHK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-8-9-16(2)18(12-15)21(17-6-5-10-24-13-17)26-22(28)19-14-25-20-7-3-4-11-27(20)23(19)29/h3-14,21H,1-2H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 99928409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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