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

C22H25ClFN5O — CID 155552298

IUPACN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride
SMILESCc1cc(-c2ccnn2C)cnc1C(=O)N[C@@H]1CNCC[C@H]1c1cccc(F)c1.Cl
InChIInChI=1S/C22H24FN5O.ClH/c1-14-10-16(20-7-9-26-28(20)2)12-25-21(14)22(29)27-19-13-24-8-6-18(19)15-4-3-5-17(23)11-15;/h3-5,7,9-12,18-19,24H,6,8,13H2,1-2H3,(H,27,29);1H/t18-,19+;/m0./s1
InChIKeyREGWWFMPFFWOJK-GRTNUQQKSA-N
MW429.93 g/mol
LogP3.23
Rot. Bonds4

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

N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride (PubChem CID 155552298) has the molecular formula C22H25ClFN5O and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride
PubChem CID155552298
Molecular FormulaC22H25ClFN5O
Molecular Weight429.93 g/mol
Exact Mass429.17
IUPAC NameN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride
SMILESCc1cc(-c2ccnn2C)cnc1C(=O)N[C@@H]1CNCC[C@H]1c1cccc(F)c1.Cl
InChIInChI=1S/C22H24FN5O.ClH/c1-14-10-16(20-7-9-26-28(20)2)12-25-21(14)22(29)27-19-13-24-8-6-18(19)15-4-3-5-17(23)11-15;/h3-5,7,9-12,18-19,24H,6,8,13H2,1-2H3,(H,27,29);1H/t18-,19+;/m0./s1
InChIKeyREGWWFMPFFWOJK-GRTNUQQKSA-N
XLogP3.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.23
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]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride (CID 155552298) is N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride is Cc1cc(-c2ccnn2C)cnc1C(=O)N[C@@H]1CNCC[C@H]1c1cccc(F)c1.Cl.
What is the InChIKey of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is REGWWFMPFFWOJK-GRTNUQQKSA-N. The full InChI is InChI=1S/C22H24FN5O.ClH/c1-14-10-16(20-7-9-26-28(20)2)12-25-21(14)22(29)27-19-13-24-8-6-18(19)15-4-3-5-17(23)11-15;/h3-5,7,9-12,18-19,24H,6,8,13H2,1-2H3,(H,27,29);1H/t18-,19+;/m0./s1.
What are the key properties of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride?
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 429.93 g/mol, XLogP of 3.23, 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]-3-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 155552298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).