N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C20H19FN4O3 — CID 72858578

IUPACN-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCOCCN(Cc1ccccc1F)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C20H19FN4O3/c1-28-10-9-25(13-15-5-2-3-7-17(15)21)20(27)16-12-23-18(24-19(16)26)14-6-4-8-22-11-14/h2-8,11-12H,9-10,13H2,1H3,(H,23,24,26)
InChIKeyHPCOEHNBLUSAER-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.26
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72858578) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID72858578
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCOCCN(Cc1ccccc1F)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C20H19FN4O3/c1-28-10-9-25(13-15-5-2-3-7-17(15)21)20(27)16-12-23-18(24-19(16)26)14-6-4-8-22-11-14/h2-8,11-12H,9-10,13H2,1H3,(H,23,24,26)
InChIKeyHPCOEHNBLUSAER-UHFFFAOYSA-N
XLogP2.26
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72870603
N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72928061
N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 72872777
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 42512485
N-[[3-(difluoromethoxy)phenyl]methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72881111
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97146618
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72897581
N,N-dibenzyl-2-pyridin-3-yl-1H-imidazole-5-carboxamide
CID 59768233
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 72858578) is N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is COCCN(Cc1ccccc1F)C(=O)c1cnc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is HPCOEHNBLUSAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-28-10-9-25(13-15-5-2-3-7-17(15)21)20(27)16-12-23-18(24-19(16)26)14-6-4-8-22-11-14/h2-8,11-12H,9-10,13H2,1H3,(H,23,24,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72858578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).