N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C21H24ClN5O — CID 171711043

IUPACN-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.Cn1ncc(-c2ccccc2)c1NC(=O)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C21H23N5O.ClH/c1-26-20(19(14-24-26)17-5-3-2-4-6-17)25-21(27)18-10-16(12-23-13-18)9-15-7-8-22-11-15;/h2-6,10,12-15,22H,7-9,11H2,1H3,(H,25,27);1H
InChIKeyIWFNBBLPGAEQIE-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.31
Rot. Bonds5

About N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 171711043) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID171711043
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.Cn1ncc(-c2ccccc2)c1NC(=O)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C21H23N5O.ClH/c1-26-20(19(14-24-26)17-5-3-2-4-6-17)25-21(27)18-10-16(12-23-13-18)9-15-7-8-22-11-15;/h2-6,10,12-15,22H,7-9,11H2,1H3,(H,25,27);1H
InChIKeyIWFNBBLPGAEQIE-UHFFFAOYSA-N
XLogP3.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-methyl-5-[[3-(pyrrolidin-3-ylmethyl)benzoyl]amino]pyrazole-4-carboxylate;hydrochloride
CID 171710874
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171708016
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709566
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709608
N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709502
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 166618639
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 171708780
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171711960
(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride
CID 171711105
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712571

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 171711043) is N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is Cl.Cn1ncc(-c2ccccc2)c1NC(=O)c1cncc(CC2CCNC2)c1.
What is the InChIKey of N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is IWFNBBLPGAEQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.ClH/c1-26-20(19(14-24-26)17-5-3-2-4-6-17)25-21(27)18-10-16(12-23-13-18)9-15-7-8-22-11-15;/h2-6,10,12-15,22H,7-9,11H2,1H3,(H,25,27);1H.
What are the key properties of N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 171711043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).