N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide

C25H23ClN4O3 — CID 23602549

IUPACN-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3ccc(Cl)cc3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C25H23ClN4O3/c1-33-20-10-6-18(7-11-20)16-30-22(29-24-21(25(30)32)3-2-14-27-24)12-13-23(31)28-15-17-4-8-19(26)9-5-17/h2-11,14H,12-13,15-16H2,1H3,(H,28,31)
InChIKeyJFRKLSGJFJWYAQ-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.75
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide

N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide (PubChem CID 23602549) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
PubChem CID23602549
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3ccc(Cl)cc3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C25H23ClN4O3/c1-33-20-10-6-18(7-11-20)16-30-22(29-24-21(25(30)32)3-2-14-27-24)12-13-23(31)28-15-17-4-8-19(26)9-5-17/h2-11,14H,12-13,15-16H2,1H3,(H,28,31)
InChIKeyJFRKLSGJFJWYAQ-UHFFFAOYSA-N
XLogP3.75
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide (CID 23602549) is N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide is COc1ccc(Cn2c(CCC(=O)NCc3ccc(Cl)cc3)nc3ncccc3c2=O)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
The InChIKey is JFRKLSGJFJWYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-33-20-10-6-18(7-11-20)16-30-22(29-24-21(25(30)32)3-2-14-27-24)12-13-23(31)28-15-17-4-8-19(26)9-5-17/h2-11,14H,12-13,15-16H2,1H3,(H,28,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide has a molecular weight of 462.94 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 23602549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).