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

C20H15FN4O3 — CID 167830300

IUPACN-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C20H15FN4O3/c1-10(12-6-7-16(21)14-5-3-2-4-13(12)14)23-18(26)11-8-15-17(22-9-11)24-20(28)25-19(15)27/h2-10H,1H3,(H,23,26)(H2,22,24,25,27,28)
InChIKeyWQHGVJPFDDETJI-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.39
Rot. Bonds3

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

N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 167830300) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID167830300
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC NameN-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C20H15FN4O3/c1-10(12-6-7-16(21)14-5-3-2-4-13(12)14)23-18(26)11-8-15-17(22-9-11)24-20(28)25-19(15)27/h2-10H,1H3,(H,23,26)(H2,22,24,25,27,28)
InChIKeyWQHGVJPFDDETJI-UHFFFAOYSA-N
XLogP2.39
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55837618
(2S)-2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid
CID 119360120
3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide
CID 166208107
2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 48500610
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 100622915
N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55838313
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-methylpentanamide;molecular hydrogen;1H-quinazoline-2,4-dione
CID 177351786
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55734285
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 75479339
N-[1-(2,4-difluorophenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 42939102

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 167830300) is N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is CC(NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(F)c2ccccc12.
What is the InChIKey of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WQHGVJPFDDETJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-10(12-6-7-16(21)14-5-3-2-4-13(12)14)23-18(26)11-8-15-17(22-9-11)24-20(28)25-19(15)27/h2-10H,1H3,(H,23,26)(H2,22,24,25,27,28).
What are the key properties of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 167830300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).