(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide

C20H19FN6O — CID 153394093

IUPAC(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC[C@@H](c2ncccn2)C1
InChIInChI=1S/C20H19FN6O/c21-15-4-2-13(3-5-15)17-7-6-16(22)19(25-17)26-20(28)27-11-8-14(12-27)18-23-9-1-10-24-18/h1-7,9-10,14H,8,11-12,22H2,(H,25,26,28)/t14-/m1/s1
InChIKeyYGJRAAGZDDFKQP-CQSZACIVSA-N
MW378.41 g/mol
LogP3.28
Rot. Bonds3

About (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide

(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (PubChem CID 153394093) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
PubChem CID153394093
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC[C@@H](c2ncccn2)C1
InChIInChI=1S/C20H19FN6O/c21-15-4-2-13(3-5-15)17-7-6-16(22)19(25-17)26-20(28)27-11-8-14(12-27)18-23-9-1-10-24-18/h1-7,9-10,14H,8,11-12,22H2,(H,25,26,28)/t14-/m1/s1
InChIKeyYGJRAAGZDDFKQP-CQSZACIVSA-N
XLogP3.28
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
CID 166727446
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol
CID 145230400
N-(3-amino-6-phenyl-2-pyridinyl)azetidine-1-carboxamide
CID 162464588
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 146525529
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 159511705
N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 113391868
2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-[3-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 158991235
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 157484665
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
CID 149278130
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
CID 147018729
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone
CID 162163426

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (CID 153394093) is (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC[C@@H](c2ncccn2)C1.
What is the InChIKey of (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is YGJRAAGZDDFKQP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-15-4-2-13(3-5-15)17-7-6-16(22)19(25-17)26-20(28)27-11-8-14(12-27)18-23-9-1-10-24-18/h1-7,9-10,14H,8,11-12,22H2,(H,25,26,28)/t14-/m1/s1.
What are the key properties of (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 153394093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).