N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide

C21H27N5O2 — CID 92621895

IUPACN-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)nc1
InChIInChI=1S/C21H27N5O2/c1-22-20(27)14-9-10-17(23-12-14)15-6-5-11-26(13-15)21(28)19-16-7-3-4-8-18(16)24-25(19)2/h9-10,12,15H,3-8,11,13H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyIQCMAZHSNVMPQX-HNNXBMFYSA-N
MW381.48 g/mol
LogP2.07
Rot. Bonds3

About N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide

N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 92621895) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
PubChem CID92621895
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)nc1
InChIInChI=1S/C21H27N5O2/c1-22-20(27)14-9-10-17(23-12-14)15-6-5-11-26(13-15)21(28)19-16-7-3-4-8-18(16)24-25(19)2/h9-10,12,15H,3-8,11,13H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyIQCMAZHSNVMPQX-HNNXBMFYSA-N
XLogP2.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 95882779
6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
CID 92621905
N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264273
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
N,N-dimethyl-6-[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 95834324
N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 95834318
N-(cyclopropylmethyl)-6-[(3R)-1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621900
N-(cyclopropylmethyl)-6-[1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110264282
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118783319
N-methyl-6-piperidin-4-ylpyridine-3-carboxamide
CID 73440684
2-methoxy-1-[4-[1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
CID 154818159
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide (CID 92621895) is N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide is CNC(=O)c1ccc([C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)nc1.
What is the InChIKey of N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is IQCMAZHSNVMPQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-22-20(27)14-9-10-17(23-12-14)15-6-5-11-26(13-15)21(28)19-16-7-3-4-8-18(16)24-25(19)2/h9-10,12,15H,3-8,11,13H2,1-2H3,(H,22,27)/t15-/m0/s1.
What are the key properties of N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?
N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92621895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).