N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide

C17H19FN4O2 — CID 166272217

IUPACN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ncc(F)cn2)c1
InChIInChI=1S/C17H19FN4O2/c1-3-11(2)22-16(23)13-6-4-5-12(7-13)8-21-17(24)15-19-9-14(18)10-20-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYDNILIYTEQPJQO-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.07
Rot. Bonds6

About N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide (PubChem CID 166272217) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide
PubChem CID166272217
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ncc(F)cn2)c1
InChIInChI=1S/C17H19FN4O2/c1-3-11(2)22-16(23)13-6-4-5-12(7-13)8-21-17(24)15-19-9-14(18)10-20-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYDNILIYTEQPJQO-UHFFFAOYSA-N
XLogP2.07
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
2-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-fluorobenzamide
CID 47043729
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
CID 55870074
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 55798083
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55749299
N-butan-2-yl-3-[[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111846876
1-benzyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 86996216
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide?
The IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide (CID 166272217) is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide.
What is the SMILES notation for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide?
The canonical SMILES for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide is CCC(C)NC(=O)c1cccc(CNC(=O)c2ncc(F)cn2)c1.
What is the InChIKey of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide?
The InChIKey is YDNILIYTEQPJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-3-11(2)22-16(23)13-6-4-5-12(7-13)8-21-17(24)15-19-9-14(18)10-20-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide?
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide is sourced from PubChem (CID 166272217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).