2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide

C20H22N4O2 — CID 86930979

IUPAC2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)22-19(25)11-15-6-8-16(9-7-15)21-13-17-12-20(26)24-10-4-3-5-18(24)23-17/h3-10,12,14,21H,11,13H2,1-2H3,(H,22,25)
InChIKeyJEDJALIMYLUJAH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide

2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide (PubChem CID 86930979) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
PubChem CID86930979
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)22-19(25)11-15-6-8-16(9-7-15)21-13-17-12-20(26)24-10-4-3-5-18(24)23-17/h3-10,12,14,21H,11,13H2,1-2H3,(H,22,25)
InChIKeyJEDJALIMYLUJAH-UHFFFAOYSA-N
XLogP2.37
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[(3,4-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671061
4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]benzonitrile
CID 60672959
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
CID 78915598
2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 87029682
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 83177884
2-benzyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]butanamide
CID 166240549
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669698

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide (CID 86930979) is 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(NCc2cc(=O)n3ccccc3n2)cc1.
What is the InChIKey of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is JEDJALIMYLUJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)22-19(25)11-15-6-8-16(9-7-15)21-13-17-12-20(26)24-10-4-3-5-18(24)23-17/h3-10,12,14,21H,11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide?
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86930979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).