N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide

C19H16F2N4O — CID 169419498

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide
SMILESCc1cc(C)nc(CNC(=O)c2cc(F)cc(-c3ccncc3F)c2)n1
InChIInChI=1S/C19H16F2N4O/c1-11-5-12(2)25-18(24-11)10-23-19(26)14-6-13(7-15(20)8-14)16-3-4-22-9-17(16)21/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyMBCFNACOWYWHNK-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.36
Rot. Bonds4

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 169419498) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide
PubChem CID169419498
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide
SMILESCc1cc(C)nc(CNC(=O)c2cc(F)cc(-c3ccncc3F)c2)n1
InChIInChI=1S/C19H16F2N4O/c1-11-5-12(2)25-18(24-11)10-23-19(26)14-6-13(7-15(20)8-14)16-3-4-22-9-17(16)21/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyMBCFNACOWYWHNK-UHFFFAOYSA-N
XLogP3.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 167518263
3-fluoro-4-(3-fluoro-5-methoxyphenyl)pyridine
CID 165479125
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 118787820
N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide
CID 169418400
3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid
CID 164527790
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide
CID 118784183
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318097
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
CID 13114245
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide (CID 169419498) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide is Cc1cc(C)nc(CNC(=O)c2cc(F)cc(-c3ccncc3F)c2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is MBCFNACOWYWHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-5-12(2)25-18(24-11)10-23-19(26)14-6-13(7-15(20)8-14)16-3-4-22-9-17(16)21/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide has a molecular weight of 354.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 169419498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).