4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

C20H23ClN4O3 — CID 171711229

IUPAC4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1nn(C)c2ccccc12.Cl
InChIInChI=1S/C20H22N4O3.ClH/c1-12-11-16(13-7-9-21-10-8-13)27-20(26)17(12)19(25)22-18-14-5-3-4-6-15(14)24(2)23-18;/h3-6,11,13,21H,7-10H2,1-2H3,(H,22,23,25);1H
InChIKeyRHPGJEMHEJVVAV-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.98
Rot. Bonds3

About 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171711229) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
PubChem CID171711229
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1nn(C)c2ccccc12.Cl
InChIInChI=1S/C20H22N4O3.ClH/c1-12-11-16(13-7-9-21-10-8-13)27-20(26)17(12)19(25)22-18-14-5-3-4-6-15(14)24(2)23-18;/h3-6,11,13,21H,7-10H2,1-2H3,(H,22,23,25);1H
InChIKeyRHPGJEMHEJVVAV-UHFFFAOYSA-N
XLogP2.98
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171713510
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709461
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171709744
6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
CID 170513145
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
6-cyclobutyl-4-methyl-N-(1,7-naphthyridin-8-yl)-2-oxopyran-3-carboxamide
CID 170503536
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338
1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine
CID 83840488

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (CID 171711229) is 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1nn(C)c2ccccc12.Cl.
What is the InChIKey of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The InChIKey is RHPGJEMHEJVVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.ClH/c1-12-11-16(13-7-9-21-10-8-13)27-20(26)17(12)19(25)22-18-14-5-3-4-6-15(14)24(2)23-18;/h3-6,11,13,21H,7-10H2,1-2H3,(H,22,23,25);1H.
What are the key properties of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 402.88 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171711229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).