3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H20N4O2 — CID 120749650

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)c(=O)n2c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-18-22-9-15(20(26)24(18)10-13)19(25)23-11-16(17(21)12-23)14-5-3-2-4-6-14/h2-10,16-17H,11-12,21H2,1H3/t16-,17+/m0/s1
InChIKeyDGZXKAGPZLNDKA-DLBZAZTESA-N
MW348.41 g/mol
LogP1.57
Rot. Bonds2

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 120749650) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID120749650
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)c(=O)n2c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-18-22-9-15(20(26)24(18)10-13)19(25)23-11-16(17(21)12-23)14-5-3-2-4-6-14/h2-10,16-17H,11-12,21H2,1H3/t16-,17+/m0/s1
InChIKeyDGZXKAGPZLNDKA-DLBZAZTESA-N
XLogP1.57
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4R)-3-amino-4-(2-fluorophenyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 167781575
3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119377302
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770073
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 120749719
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119592865
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 134021810
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 120746297
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 120747184

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 120749650) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)c(=O)n2c1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DGZXKAGPZLNDKA-DLBZAZTESA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-7-8-18-22-9-15(20(26)24(18)10-13)19(25)23-11-16(17(21)12-23)14-5-3-2-4-6-14/h2-10,16-17H,11-12,21H2,1H3/t16-,17+/m0/s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 120749650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).