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

C17H15N5O4 — CID 55838313

IUPACN-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1
InChIInChI=1S/C17H15N5O4/c1-9(23)20-12-4-2-3-10(5-12)7-19-15(24)11-6-13-14(18-8-11)21-17(26)22-16(13)25/h2-6,8H,7H2,1H3,(H,19,24)(H,20,23)(H2,18,21,22,25,26)
InChIKeyOCCMFMSUFBQESM-UHFFFAOYSA-N
MW353.34 g/mol
LogP0.50
Rot. Bonds4

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

N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55838313) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55838313
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1
InChIInChI=1S/C17H15N5O4/c1-9(23)20-12-4-2-3-10(5-12)7-19-15(24)11-6-13-14(18-8-11)21-17(26)22-16(13)25/h2-6,8H,7H2,1H3,(H,19,24)(H,20,23)(H2,18,21,22,25,26)
InChIKeyOCCMFMSUFBQESM-UHFFFAOYSA-N
XLogP0.50
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55853567
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
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-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43065423
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31344415

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55838313) is N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OCCMFMSUFBQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-9(23)20-12-4-2-3-10(5-12)7-19-15(24)11-6-13-14(18-8-11)21-17(26)22-16(13)25/h2-6,8H,7H2,1H3,(H,19,24)(H,20,23)(H2,18,21,22,25,26).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55838313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).