6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide

C17H17F2N3O2 — CID 171477783

IUPAC6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)(O)c1c(NC(=O)c2cccc(C3CC3)n2)cnc(F)c1F
InChIInChI=1S/C17H17F2N3O2/c1-17(2,24)13-12(8-20-15(19)14(13)18)22-16(23)11-5-3-4-10(21-11)9-6-7-9/h3-5,8-9,24H,6-7H2,1-2H3,(H,22,23)
InChIKeyXYTAKSHCNWAERE-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.11
Rot. Bonds4

About 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide

6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 171477783) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID171477783
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)(O)c1c(NC(=O)c2cccc(C3CC3)n2)cnc(F)c1F
InChIInChI=1S/C17H17F2N3O2/c1-17(2,24)13-12(8-20-15(19)14(13)18)22-16(23)11-5-3-4-10(21-11)9-6-7-9/h3-5,8-9,24H,6-7H2,1-2H3,(H,22,23)
InChIKeyXYTAKSHCNWAERE-UHFFFAOYSA-N
XLogP3.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
CID 171477787
CID 175714264
CID 175714264
N-[2-cyclohexyl-4-fluoro-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]pyridine-2-carboxamide
CID 157030427
N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide
CID 57339501
6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 113200317
N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 67890626
6-N-cyclopropyl-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109093918
N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 165012438
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447361
6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 155883668

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 171477783) is 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide is CC(C)(O)c1c(NC(=O)c2cccc(C3CC3)n2)cnc(F)c1F.
What is the InChIKey of 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is XYTAKSHCNWAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-17(2,24)13-12(8-20-15(19)14(13)18)22-16(23)11-5-3-4-10(21-11)9-6-7-9/h3-5,8-9,24H,6-7H2,1-2H3,(H,22,23).
What are the key properties of 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5,6-difluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 171477783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).