N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride

C21H26ClN5O2S — CID 172911318

IUPACN,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1.Cl
InChIInChI=1S/C21H25N5O2S.ClH/c1-14-7-10-26(16-5-8-22-9-6-16)21(28)19(14)20(27)25(2)13-15-12-17(24-23-15)18-4-3-11-29-18;/h3-4,7,10-12,16,22H,5-6,8-9,13H2,1-2H3,(H,23,24);1H
InChIKeyQCZVONPKZLAEBC-UHFFFAOYSA-N
MW447.99 g/mol
LogP3.23
Rot. Bonds5

About N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride

N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 172911318) has the molecular formula C21H26ClN5O2S and a molecular weight of 447.99 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID172911318
Molecular FormulaC21H26ClN5O2S
Molecular Weight447.99 g/mol
Exact Mass447.15
IUPAC NameN,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1.Cl
InChIInChI=1S/C21H25N5O2S.ClH/c1-14-7-10-26(16-5-8-22-9-6-16)21(28)19(14)20(27)25(2)13-15-12-17(24-23-15)18-4-3-11-29-18;/h3-4,7,10-12,16,22H,5-6,8-9,13H2,1-2H3,(H,23,24);1H
InChIKeyQCZVONPKZLAEBC-UHFFFAOYSA-N
XLogP3.23
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
CID 56741601
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CID 50974595
(3R,6S)-1-acetyl-6-amino-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]azepane-3-carboxamide;hydrochloride
CID 166600077
1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 172669335
N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
CID 50957301
N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912666
1-cyclopropyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172655430
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]acetamide
CID 77086004
N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131942905
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172657373
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910815

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride (CID 172911318) is N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1.Cl.
What is the InChIKey of N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is QCZVONPKZLAEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S.ClH/c1-14-7-10-26(16-5-8-22-9-6-16)21(28)19(14)20(27)25(2)13-15-12-17(24-23-15)18-4-3-11-29-18;/h3-4,7,10-12,16,22H,5-6,8-9,13H2,1-2H3,(H,23,24);1H.
What are the key properties of N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride?
N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 447.99 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172911318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).