4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

C15H18FN5OS — CID 58440215

IUPAC4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2nccs2)cc1N[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C15H18FN5OS/c16-11-8-18-2-1-12(11)21-13-5-9(6-14-19-3-4-23-14)20-7-10(13)15(17)22/h3-5,7,11-12,18H,1-2,6,8H2,(H2,17,22)(H,20,21)/t11-,12+/m0/s1
InChIKeyGBKMAYSANBGJJA-NWDGAFQWSA-N
MW335.41 g/mol
LogP1.34
Rot. Bonds5

About 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 58440215) has the molecular formula C15H18FN5OS and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
PubChem CID58440215
Molecular FormulaC15H18FN5OS
Molecular Weight335.41 g/mol
Exact Mass335.12
IUPAC Name4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2nccs2)cc1N[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C15H18FN5OS/c16-11-8-18-2-1-12(11)21-13-5-9(6-14-19-3-4-23-14)20-7-10(13)15(17)22/h3-5,7,11-12,18H,1-2,6,8H2,(H2,17,22)(H,20,21)/t11-,12+/m0/s1
InChIKeyGBKMAYSANBGJJA-NWDGAFQWSA-N
XLogP1.34
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (CID 58440215) is 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is NC(=O)c1cnc(Cc2nccs2)cc1N[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GBKMAYSANBGJJA-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18FN5OS/c16-11-8-18-2-1-12(11)21-13-5-9(6-14-19-3-4-23-14)20-7-10(13)15(17)22/h3-5,7,11-12,18H,1-2,6,8H2,(H2,17,22)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58440215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).