4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

C20H30N6O — CID 56916212

IUPAC4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN1CCNC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C20H30N6O/c1-14(2)26-16(4)18(15(3)24-26)12-25-10-9-22-19(13-25)20(27)23-11-17-7-5-6-8-21-17/h5-8,14,19,22H,9-13H2,1-4H3,(H,23,27)
InChIKeyNDYRQRSCXAUBST-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.57
Rot. Bonds6

About 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 56916212) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
PubChem CID56916212
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN1CCNC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C20H30N6O/c1-14(2)26-16(4)18(15(3)24-26)12-25-10-9-22-19(13-25)20(27)23-11-17-7-5-6-8-21-17/h5-8,14,19,22H,9-13H2,1-4H3,(H,23,27)
InChIKeyNDYRQRSCXAUBST-UHFFFAOYSA-N
XLogP1.57
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide with MolForge

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Related Compounds

(2S)-4-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95724182
N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide
CID 56886592
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 122560972
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 118781434
(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 95717599
4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 110086699
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122279906

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (CID 56916212) is 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is Cc1nn(C(C)C)c(C)c1CN1CCNC(C(=O)NCc2ccccn2)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is NDYRQRSCXAUBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14(2)26-16(4)18(15(3)24-26)12-25-10-9-22-19(13-25)20(27)23-11-17-7-5-6-8-21-17/h5-8,14,19,22H,9-13H2,1-4H3,(H,23,27).
What are the key properties of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56916212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).