4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide

C21H30N6O — CID 167945884

IUPAC4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)N3CCC(C)(N4CCCCC4)CC3)c2)cn1
InChIInChI=1S/C21H30N6O/c1-21(27-10-4-3-5-11-27)7-12-26(13-8-21)20(28)24-19-14-17(6-9-22-19)18-15-23-25(2)16-18/h6,9,14-16H,3-5,7-8,10-13H2,1-2H3,(H,22,24,28)
InChIKeyXBKUNXCJDRONEJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.35
Rot. Bonds3

About 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide

4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide (PubChem CID 167945884) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
PubChem CID167945884
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)N3CCC(C)(N4CCCCC4)CC3)c2)cn1
InChIInChI=1S/C21H30N6O/c1-21(27-10-4-3-5-11-27)7-12-26(13-8-21)20(28)24-19-14-17(6-9-22-19)18-15-23-25(2)16-18/h6,9,14-16H,3-5,7-8,10-13H2,1-2H3,(H,22,24,28)
InChIKeyXBKUNXCJDRONEJ-UHFFFAOYSA-N
XLogP3.35
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 167767382
4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 167816356
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 167842832
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139327424
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide (CID 167945884) is 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide is Cn1cc(-c2ccnc(NC(=O)N3CCC(C)(N4CCCCC4)CC3)c2)cn1.
What is the InChIKey of 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The InChIKey is XBKUNXCJDRONEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-21(27-10-4-3-5-11-27)7-12-26(13-8-21)20(28)24-19-14-17(6-9-22-19)18-15-23-25(2)16-18/h6,9,14-16H,3-5,7-8,10-13H2,1-2H3,(H,22,24,28).
What are the key properties of 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 167945884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).