2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide

C27H32N4O2 — CID 53143476

IUPAC2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(C(C)C)nc2c(c1=O)CN(Cc1ccccc1)CC2)c1ccccc1
InChIInChI=1S/C27H32N4O2/c1-4-30(22-13-9-6-10-14-22)25(32)19-31-26(20(2)3)28-24-15-16-29(18-23(24)27(31)33)17-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3
InChIKeyGYNICGFBJBINFP-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.98
Rot. Bonds7

About 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide

2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide (PubChem CID 53143476) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide
PubChem CID53143476
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(C(C)C)nc2c(c1=O)CN(Cc1ccccc1)CC2)c1ccccc1
InChIInChI=1S/C27H32N4O2/c1-4-30(22-13-9-6-10-14-22)25(32)19-31-26(20(2)3)28-24-15-16-29(18-23(24)27(31)33)17-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3
InChIKeyGYNICGFBJBINFP-UHFFFAOYSA-N
XLogP3.98
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53143483
N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 52906227
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 50826260
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 50826144
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 50826400
6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314692
2-[(11-acetyl-4-benzyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 50799607
11-benzyl-5-methylsulfanyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 648481
6-benzyl-4-N,4-N-diethyl-2-N,2-N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 91800555
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
2-benzyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 32623849
6-benzyl-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide (CID 53143476) is 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1c(C(C)C)nc2c(c1=O)CN(Cc1ccccc1)CC2)c1ccccc1.
What is the InChIKey of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide?
The InChIKey is GYNICGFBJBINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-4-30(22-13-9-6-10-14-22)25(32)19-31-26(20(2)3)28-24-15-16-29(18-23(24)27(31)33)17-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3.
What are the key properties of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide?
2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide has a molecular weight of 444.58 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 53143476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).