N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide

C17H16N4O2 — CID 135899280

IUPACN-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C17H16N4O2/c22-15(9-8-12-5-2-1-3-6-12)19-11-14-20-16-13(17(23)21-14)7-4-10-18-16/h1-7,10H,8-9,11H2,(H,19,22)(H,18,20,21,23)
InChIKeyPKQOVHPVASDOMA-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.57
Rot. Bonds5

About N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide

N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 135899280) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide
PubChem CID135899280
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C17H16N4O2/c22-15(9-8-12-5-2-1-3-6-12)19-11-14-20-16-13(17(23)21-14)7-4-10-18-16/h1-7,10H,8-9,11H2,(H,19,22)(H,18,20,21,23)
InChIKeyPKQOVHPVASDOMA-UHFFFAOYSA-N
XLogP1.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide (CID 135899280) is N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1nc2ncccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is PKQOVHPVASDOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-15(9-8-12-5-2-1-3-6-12)19-11-14-20-16-13(17(23)21-14)7-4-10-18-16/h1-7,10H,8-9,11H2,(H,19,22)(H,18,20,21,23).
What are the key properties of N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide?
N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 308.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 135899280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).