6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C16H23Cl2N5O — CID 119513330

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC3CCCN3)cn2)n1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-11-8-12(2)21(20-11)15-6-5-13(9-18-15)16(22)19-10-14-4-3-7-17-14;;/h5-6,8-9,14,17H,3-4,7,10H2,1-2H3,(H,19,22);2*1H
InChIKeyJWBBKEDQIBUKRE-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.21
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride

6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119513330) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119513330
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC3CCCN3)cn2)n1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-11-8-12(2)21(20-11)15-6-5-13(9-18-15)16(22)19-10-14-4-3-7-17-14;;/h5-6,8-9,14,17H,3-4,7,10H2,1-2H3,(H,19,22);2*1H
InChIKeyJWBBKEDQIBUKRE-UHFFFAOYSA-N
XLogP2.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 167753220
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 119611569
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
CID 95629528
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid
CID 120532455
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397753

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 119513330) is 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride is Cc1cc(C)n(-c2ccc(C(=O)NCC3CCCN3)cn2)n1.Cl.Cl.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is JWBBKEDQIBUKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-11-8-12(2)21(20-11)15-6-5-13(9-18-15)16(22)19-10-14-4-3-7-17-14;;/h5-6,8-9,14,17H,3-4,7,10H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119513330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).