N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C19H19N5O4 — CID 55853567

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1)C(C)=O
InChIInChI=1S/C19H19N5O4/c1-3-24(11(2)25)10-12-5-4-6-14(7-12)21-17(26)13-8-15-16(20-9-13)22-19(28)23-18(15)27/h4-9H,3,10H2,1-2H3,(H,21,26)(H2,20,22,23,27,28)
InChIKeyHKDBNUKAXLOABS-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.23
Rot. Bonds5

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

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55853567) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55853567
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1)C(C)=O
InChIInChI=1S/C19H19N5O4/c1-3-24(11(2)25)10-12-5-4-6-14(7-12)21-17(26)13-8-15-16(20-9-13)22-19(28)23-18(15)27/h4-9H,3,10H2,1-2H3,(H,21,26)(H2,20,22,23,27,28)
InChIKeyHKDBNUKAXLOABS-UHFFFAOYSA-N
XLogP1.23
TPSA128.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55838313
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55947481
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55837618
N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 136578744
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072127
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 38808470
1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36805442
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 34338889
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55853567) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is CCN(Cc1cccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HKDBNUKAXLOABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-3-24(11(2)25)10-12-5-4-6-14(7-12)21-17(26)13-8-15-16(20-9-13)22-19(28)23-18(15)27/h4-9H,3,10H2,1-2H3,(H,21,26)(H2,20,22,23,27,28).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55853567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).