2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide

C16H18FN3O2 — CID 82022519

IUPAC2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
SMILESCCC(CO)Nc1ccc(NC(=O)c2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O2/c1-2-11(10-21)19-15-8-7-12(9-18-15)20-16(22)13-5-3-4-6-14(13)17/h3-9,11,21H,2,10H2,1H3,(H,18,19)(H,20,22)
InChIKeyRILUYNPMWUWQIT-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.66
Rot. Bonds6

About 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide

2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide (PubChem CID 82022519) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
PubChem CID82022519
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
SMILESCCC(CO)Nc1ccc(NC(=O)c2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O2/c1-2-11(10-21)19-15-8-7-12(9-18-15)20-16(22)13-5-3-4-6-14(13)17/h3-9,11,21H,2,10H2,1H3,(H,18,19)(H,20,22)
InChIKeyRILUYNPMWUWQIT-UHFFFAOYSA-N
XLogP2.66
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022523
2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
CID 82022508
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide (CID 82022519) is 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide is CCC(CO)Nc1ccc(NC(=O)c2ccccc2F)cn1.
What is the InChIKey of 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide?
The InChIKey is RILUYNPMWUWQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-11(10-21)19-15-8-7-12(9-18-15)20-16(22)13-5-3-4-6-14(13)17/h3-9,11,21H,2,10H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide?
2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide has a molecular weight of 303.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 82022519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).