3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide

C20H19F2N5O2S — CID 71261836

IUPAC3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
SMILESNc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1N1CCCC(O)C1
InChIInChI=1S/C20H19F2N5O2S/c21-12-4-1-5-13(22)17(12)15-7-6-14(23)18(25-15)19(29)26-16-9-24-30-20(16)27-8-2-3-11(28)10-27/h1,4-7,9,11,28H,2-3,8,10,23H2,(H,26,29)
InChIKeyYPNDPKCBTTUTIL-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.28
Rot. Bonds4

About 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide

3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 71261836) has the molecular formula C20H19F2N5O2S and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID71261836
Molecular FormulaC20H19F2N5O2S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
SMILESNc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1N1CCCC(O)C1
InChIInChI=1S/C20H19F2N5O2S/c21-12-4-1-5-13(22)17(12)15-7-6-14(23)18(25-15)19(29)26-16-9-24-30-20(16)27-8-2-3-11(28)10-27/h1,4-7,9,11,28H,2-3,8,10,23H2,(H,26,29)
InChIKeyYPNDPKCBTTUTIL-UHFFFAOYSA-N
XLogP3.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-difluorophenyl)-N-[5-(4-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261824
3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 71261811
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261907
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 147319320
N-[5-(3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 152845077
3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482385
3-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482604
2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261832
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 118396829
3-amino-N-[5-[(3S)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482485
3-amino-N-[5-[3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 67437262

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide (CID 71261836) is 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide is Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1N1CCCC(O)C1.
What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is YPNDPKCBTTUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2S/c21-12-4-1-5-13(22)17(12)15-7-6-14(23)18(25-15)19(29)26-16-9-24-30-20(16)27-8-2-3-11(28)10-27/h1,4-7,9,11,28H,2-3,8,10,23H2,(H,26,29).
What are the key properties of 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71261836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).