N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide

C21H21F2N5O — CID 155517747

IUPACN-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C21H21F2N5O/c1-28-20(7-9-26-28)18-5-3-14(11-25-18)21(29)27-19-12-24-8-6-15(19)13-2-4-16(22)17(23)10-13/h2-5,7,9-11,15,19,24H,6,8,12H2,1H3,(H,27,29)/t15-,19+/m0/s1
InChIKeyPSFSTWKZCSDXEM-HNAYVOBHSA-N
MW397.43 g/mol
LogP2.64
Rot. Bonds4

About N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide

N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 155517747) has the molecular formula C21H21F2N5O and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
PubChem CID155517747
Molecular FormulaC21H21F2N5O
Molecular Weight397.43 g/mol
Exact Mass397.17
IUPAC NameN-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C21H21F2N5O/c1-28-20(7-9-26-28)18-5-3-14(11-25-18)21(29)27-19-12-24-8-6-15(19)13-2-4-16(22)17(23)10-13/h2-5,7,9-11,15,19,24H,6,8,12H2,1H3,(H,27,29)/t15-,19+/m0/s1
InChIKeyPSFSTWKZCSDXEM-HNAYVOBHSA-N
XLogP2.64
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.64
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-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide (CID 155517747) is N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide is Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is PSFSTWKZCSDXEM-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H21F2N5O/c1-28-20(7-9-26-28)18-5-3-14(11-25-18)21(29)27-19-12-24-8-6-15(19)13-2-4-16(22)17(23)10-13/h2-5,7,9-11,15,19,24H,6,8,12H2,1H3,(H,27,29)/t15-,19+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide?
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.64, 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-(3,4-difluorophenyl)piperidin-3-yl]-6-(2-methylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 155517747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).