N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide

C25H26N4O3 — CID 5301751

IUPACN-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(NC(C)=O)cc1)N2Cc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-16-13-20(15-32-3)22-24(26-16)29(14-18-7-5-4-6-8-18)23(28-25(22)31)19-9-11-21(12-10-19)27-17(2)30/h4-13,23H,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFVQHSUXRLZYNTR-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.94
Rot. Bonds6

About N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide

N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide (PubChem CID 5301751) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
PubChem CID5301751
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
SMILESCOCc1cc(C)nc2c1C(=O)NC(c1ccc(NC(C)=O)cc1)N2Cc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-16-13-20(15-32-3)22-24(26-16)29(14-18-7-5-4-6-8-18)23(28-25(22)31)19-9-11-21(12-10-19)27-17(2)30/h4-13,23H,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFVQHSUXRLZYNTR-UHFFFAOYSA-N
XLogP3.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide (CID 5301751) is N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide is COCc1cc(C)nc2c1C(=O)NC(c1ccc(NC(C)=O)cc1)N2Cc1ccccc1.
What is the InChIKey of N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The InChIKey is FVQHSUXRLZYNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-13-20(15-32-3)22-24(26-16)29(14-18-7-5-4-6-8-18)23(28-25(22)31)19-9-11-21(12-10-19)27-17(2)30/h4-13,23H,14-15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-benzyl-5-(methoxymethyl)-7-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 5301751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).