7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C16H16N4O3 — CID 173153233

IUPAC7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C16H16N4O3/c17-15(22)16-18-8-11-6-7-20(9-13(11)19-16)14(21)10-23-12-4-2-1-3-5-12/h1-5,8H,6-7,9-10H2,(H2,17,22)
InChIKeyIZBWAJKKHWFLGR-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.54
Rot. Bonds4

About 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153233) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153233
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C16H16N4O3/c17-15(22)16-18-8-11-6-7-20(9-13(11)19-16)14(21)10-23-12-4-2-1-3-5-12/h1-5,8H,6-7,9-10H2,(H2,17,22)
InChIKeyIZBWAJKKHWFLGR-UHFFFAOYSA-N
XLogP0.54
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153405
7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153318
7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153608
7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153415
1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone
CID 86264559
2-phenoxy-1-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 110243598
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575358
2-phenoxy-1-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575359
1-[2-[(3S)-1-acetylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 92548920
1-[2-(1-acetylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 110241693
7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153410

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153233) is 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CN(C(=O)COc1ccccc1)CC2.
What is the InChIKey of 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is IZBWAJKKHWFLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c17-15(22)16-18-8-11-6-7-20(9-13(11)19-16)14(21)10-23-12-4-2-1-3-5-12/h1-5,8H,6-7,9-10H2,(H2,17,22).
What are the key properties of 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).