N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide

C21H22FN5O — CID 155543688

IUPACN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)nc1
InChIInChI=1S/C21H22FN5O/c1-27-20(8-10-25-27)15-5-6-18(24-12-15)21(28)26-19-13-23-9-7-17(19)14-3-2-4-16(22)11-14/h2-6,8,10-12,17,19,23H,7,9,13H2,1H3,(H,26,28)/t17-,19+/m0/s1
InChIKeyRDUOXFXAQJBINA-PKOBYXMFSA-N
MW379.44 g/mol
LogP2.50
Rot. Bonds4

About N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide

N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 155543688) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID155543688
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)nc1
InChIInChI=1S/C21H22FN5O/c1-27-20(8-10-25-27)15-5-6-18(24-12-15)21(28)26-19-13-23-9-7-17(19)14-3-2-4-16(22)11-14/h2-6,8,10-12,17,19,23H,7,9,13H2,1H3,(H,26,28)/t17-,19+/m0/s1
InChIKeyRDUOXFXAQJBINA-PKOBYXMFSA-N
XLogP2.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide (CID 155543688) is N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide is Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)nc1.
What is the InChIKey of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is RDUOXFXAQJBINA-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-27-20(8-10-25-27)15-5-6-18(24-12-15)21(28)26-19-13-23-9-7-17(19)14-3-2-4-16(22)11-14/h2-6,8,10-12,17,19,23H,7,9,13H2,1H3,(H,26,28)/t17-,19+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide?
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155543688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).