4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide

C19H19ClF2N4O3 — CID 139348428

IUPAC4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NC2CCNCC2(F)F)c1
InChIInChI=1S/C19H19ClF2N4O3/c20-12-1-2-15(27)11(7-12)8-17(28)25-13-3-6-24-14(9-13)18(29)26-16-4-5-23-10-19(16,21)22/h1-3,6-7,9,16,23,27H,4-5,8,10H2,(H,26,29)(H,24,25,28)
InChIKeySPVJWDTXMRQTCZ-UHFFFAOYSA-N
MW424.84 g/mol
LogP2.35
Rot. Bonds5

About 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide

4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 139348428) has the molecular formula C19H19ClF2N4O3 and a molecular weight of 424.84 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide
PubChem CID139348428
Molecular FormulaC19H19ClF2N4O3
Molecular Weight424.84 g/mol
Exact Mass424.11
IUPAC Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NC2CCNCC2(F)F)c1
InChIInChI=1S/C19H19ClF2N4O3/c20-12-1-2-15(27)11(7-12)8-17(28)25-13-3-6-24-14(9-13)18(29)26-16-4-5-23-10-19(16,21)22/h1-3,6-7,9,16,23,27H,4-5,8,10H2,(H,26,29)(H,24,25,28)
InChIKeySPVJWDTXMRQTCZ-UHFFFAOYSA-N
XLogP2.35
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylpentan-2-yl)pyridine-2-carboxamide
CID 139347713
tert-butyl 6-[[4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-1-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 170050101
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 139347861
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347906
N-(1-bicyclo[3.2.1]oct-5-enyl)-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 167213391
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
N-[(5-chloro-2-hydroxyphenyl)methyl]-4-(2,2-dimethylpropanoylamino)pyridine-2-carboxamide
CID 155388867
N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 155588732
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(3-fluoro-3-propylcyclobutyl)pyridine-2-carboxamide
CID 167263268
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 139348505
N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139366506

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide (CID 139348428) is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide is O=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NC2CCNCC2(F)F)c1.
What is the InChIKey of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is SPVJWDTXMRQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O3/c20-12-1-2-15(27)11(7-12)8-17(28)25-13-3-6-24-14(9-13)18(29)26-16-4-5-23-10-19(16,21)22/h1-3,6-7,9,16,23,27H,4-5,8,10H2,(H,26,29)(H,24,25,28).
What are the key properties of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide?
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 424.84 g/mol, XLogP of 2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139348428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).