N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C18H20FN3O3 — CID 135963071

IUPACN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC2(c3ccccc3F)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-12-21-15(10-16(23)22-12)17(24)20-11-18(6-8-25-9-7-18)13-4-2-3-5-14(13)19/h2-5,10H,6-9,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyLXVMKIOWHVWDAS-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.70
Rot. Bonds4

About N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135963071) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135963071
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC2(c3ccccc3F)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-12-21-15(10-16(23)22-12)17(24)20-11-18(6-8-25-9-7-18)13-4-2-3-5-14(13)19/h2-5,10H,6-9,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyLXVMKIOWHVWDAS-UHFFFAOYSA-N
XLogP1.70
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 138998224
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71753557
2-(aminomethyl)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119777761
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide
CID 166180851
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 166423499
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
2-iodo-4-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528468

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 135963071) is N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NCC2(c3ccccc3F)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is LXVMKIOWHVWDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-21-15(10-16(23)22-12)17(24)20-11-18(6-8-25-9-7-18)13-4-2-3-5-14(13)19/h2-5,10H,6-9,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135963071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).