N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide

C17H17FN4O2 — CID 136542535

IUPACN-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1
InChIInChI=1S/C17H17FN4O2/c1-11-3-4-12(10-20-11)16(23)21-13-5-6-14(18)15(9-13)22-8-2-7-19-17(22)24/h3-6,9-10H,2,7-8H2,1H3,(H,19,24)(H,21,23)
InChIKeyFEOVPUPXWOCVGY-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.70
Rot. Bonds3

About N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide

N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 136542535) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID136542535
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1
InChIInChI=1S/C17H17FN4O2/c1-11-3-4-12(10-20-11)16(23)21-13-5-6-14(18)15(9-13)22-8-2-7-19-17(22)24/h3-6,9-10H,2,7-8H2,1H3,(H,19,24)(H,21,23)
InChIKeyFEOVPUPXWOCVGY-UHFFFAOYSA-N
XLogP2.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 167909237
3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51298991
1-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 167919817
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide
CID 94105507
4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
CID 107033145
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylpyridine-3-carboxamide
CID 18154829
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide (CID 136542535) is N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1.
What is the InChIKey of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is FEOVPUPXWOCVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-3-4-12(10-20-11)16(23)21-13-5-6-14(18)15(9-13)22-8-2-7-19-17(22)24/h3-6,9-10H,2,7-8H2,1H3,(H,19,24)(H,21,23).
What are the key properties of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide?
N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 136542535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).