N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride

C17H25Cl2N5O — CID 119848561

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCCNC3)cn2)n1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-12-8-13(2)22(21-12)16-6-5-14(9-19-16)10-20-17(23)15-4-3-7-18-11-15;;/h5-6,8-9,15,18H,3-4,7,10-11H2,1-2H3,(H,20,23);2*1H
InChIKeyTXUWPEWNCANXQW-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.34
Rot. Bonds4

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119848561) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119848561
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCCNC3)cn2)n1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-12-8-13(2)22(21-12)16-6-5-14(9-19-16)10-20-17(23)15-4-3-7-18-11-15;;/h5-6,8-9,15,18H,3-4,7,10-11H2,1-2H3,(H,20,23);2*1H
InChIKeyTXUWPEWNCANXQW-UHFFFAOYSA-N
XLogP2.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55968479
N-[[6-(diethylamino)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119846329
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119848570
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride (CID 119848561) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride is Cc1cc(C)n(-c2ccc(CNC(=O)C3CCCNC3)cn2)n1.Cl.Cl.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is TXUWPEWNCANXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c1-12-8-13(2)22(21-12)16-6-5-14(9-19-16)10-20-17(23)15-4-3-7-18-11-15;;/h5-6,8-9,15,18H,3-4,7,10-11H2,1-2H3,(H,20,23);2*1H.
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119848561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).