N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C23H19N5O4 — CID 55837618

IUPACN-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N5O4/c1-13(15-8-5-9-17(10-15)26-20(29)14-6-3-2-4-7-14)25-21(30)16-11-18-19(24-12-16)27-23(32)28-22(18)31/h2-13H,1H3,(H,25,30)(H,26,29)(H2,24,27,28,31,32)
InChIKeyNUOPQHXRRKBPLQ-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.35
Rot. Bonds5

About N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55837618) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55837618
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N5O4/c1-13(15-8-5-9-17(10-15)26-20(29)14-6-3-2-4-7-14)25-21(30)16-11-18-19(24-12-16)27-23(32)28-22(18)31/h2-13H,1H3,(H,25,30)(H,26,29)(H2,24,27,28,31,32)
InChIKeyNUOPQHXRRKBPLQ-UHFFFAOYSA-N
XLogP2.35
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 48500610
N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
CID 95979650
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 167830300
N-[1-(3-benzamidophenyl)ethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
CID 55884946
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55853567
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55947481
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55837618) is N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is CC(NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NUOPQHXRRKBPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-13(15-8-5-9-17(10-15)26-20(29)14-6-3-2-4-7-14)25-21(30)16-11-18-19(24-12-16)27-23(32)28-22(18)31/h2-13H,1H3,(H,25,30)(H,26,29)(H2,24,27,28,31,32).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55837618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).