6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide

C18H20F2N4O — CID 58440362

IUPAC6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2cccc(F)c2)cc1N[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C18H20F2N4O/c19-12-3-1-2-11(6-12)7-13-8-17(14(9-23-13)18(21)25)24-16-4-5-22-10-15(16)20/h1-3,6,8-9,15-16,22H,4-5,7,10H2,(H2,21,25)(H,23,24)/t15-,16+/m0/s1
InChIKeySQAGHZXVBULBRX-JKSUJKDBSA-N
MW346.38 g/mol
LogP2.02
Rot. Bonds5

About 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide

6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 58440362) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID58440362
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2cccc(F)c2)cc1N[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C18H20F2N4O/c19-12-3-1-2-11(6-12)7-13-8-17(14(9-23-13)18(21)25)24-16-4-5-22-10-15(16)20/h1-3,6,8-9,15-16,22H,4-5,7,10H2,(H2,21,25)(H,23,24)/t15-,16+/m0/s1
InChIKeySQAGHZXVBULBRX-JKSUJKDBSA-N
XLogP2.02
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide (CID 58440362) is 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide is NC(=O)c1cnc(Cc2cccc(F)c2)cc1N[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is SQAGHZXVBULBRX-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H20F2N4O/c19-12-3-1-2-11(6-12)7-13-8-17(14(9-23-13)18(21)25)24-16-4-5-22-10-15(16)20/h1-3,6,8-9,15-16,22H,4-5,7,10H2,(H2,21,25)(H,23,24)/t15-,16+/m0/s1.
What are the key properties of 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 58440362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).