7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide

C25H21N3O4 — CID 59392894

IUPAC7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCC(=O)c3ccccc3)c(OCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C25H21N3O4/c1-17-12-13-21-27-22(24(30)26-14-20(29)19-10-6-3-7-11-19)23(25(31)28(21)15-17)32-16-18-8-4-2-5-9-18/h2-13,15H,14,16H2,1H3,(H,26,30)
InChIKeyHLRDZNFRPOQRLL-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.19
Rot. Bonds7

About 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide

7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 59392894) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID59392894
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCC(=O)c3ccccc3)c(OCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C25H21N3O4/c1-17-12-13-21-27-22(24(30)26-14-20(29)19-10-6-3-7-11-19)23(25(31)28(21)15-17)32-16-18-8-4-2-5-9-18/h2-13,15H,14,16H2,1H3,(H,26,30)
InChIKeyHLRDZNFRPOQRLL-UHFFFAOYSA-N
XLogP3.19
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(hydroxyiminomethyl)-7-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 76655923
7-iodo-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91216154
7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392913
N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790825
7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91443533
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
6-benzyl-N,N,12-trimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4911231
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 134048642
N-benzyl-6-imino-7-(2-methoxyethyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151408
N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
CID 143465875

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide (CID 59392894) is 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide is Cc1ccc2nc(C(=O)NCC(=O)c3ccccc3)c(OCc3ccccc3)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is HLRDZNFRPOQRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-17-12-13-21-27-22(24(30)26-14-20(29)19-10-6-3-7-11-19)23(25(31)28(21)15-17)32-16-18-8-4-2-5-9-18/h2-13,15H,14,16H2,1H3,(H,26,30).
What are the key properties of 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 59392894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).