(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C19H20FN5O3 — CID 136896660

IUPAC(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)c(F)c1
InChIInChI=1S/C19H20FN5O3/c1-10-4-5-13(12(20)8-10)21-17(27)11-9-14(26)22-16-15(11)18(28)24-19(23-16)25-6-2-3-7-25/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,21,27)(H2,22,23,24,26,28)/t11-/m1/s1
InChIKeyJDQZUVDZAFTBQY-LLVKDONJSA-N
MW385.40 g/mol
LogP1.88
Rot. Bonds3

About (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136896660) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136896660
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)c(F)c1
InChIInChI=1S/C19H20FN5O3/c1-10-4-5-13(12(20)8-10)21-17(27)11-9-14(26)22-16-15(11)18(28)24-19(23-16)25-6-2-3-7-25/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,21,27)(H2,22,23,24,26,28)/t11-/m1/s1
InChIKeyJDQZUVDZAFTBQY-LLVKDONJSA-N
XLogP1.88
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

(5R)-N-(2,5-dichlorophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886007
(5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896676
(5S)-N-(2,5-dimethylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742728
(5S)-N-(5-chloro-2-methoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875855
N-(2-methoxyphenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135972514
(5R)-2-(3-chloroanilino)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876142
(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875564
N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994713
N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994705
(5S)-4,7-dioxo-2-piperidin-1-yl-N-(4-prop-1-en-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136905653
N-(2-ethoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994124
dimethyl 5-[[(5S)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135937709

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136896660) is (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)c(F)c1.
What is the InChIKey of (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JDQZUVDZAFTBQY-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-10-4-5-13(12(20)8-10)21-17(27)11-9-14(26)22-16-15(11)18(28)24-19(23-16)25-6-2-3-7-25/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,21,27)(H2,22,23,24,26,28)/t11-/m1/s1.
What are the key properties of (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136896660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).