1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

C24H30N6O2 — CID 56507133

IUPAC1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)cnn1C
InChIInChI=1S/C24H30N6O2/c1-16-6-7-17(2)30(16)24-21(13-26-28(24)3)23(32)27-20-10-8-18(9-11-20)14-29-12-4-5-19(15-29)22(25)31/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H2,25,31)(H,27,32)
InChIKeyAJDZKIMCVIZLID-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.78
Rot. Bonds6

About 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56507133) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56507133
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)cnn1C
InChIInChI=1S/C24H30N6O2/c1-16-6-7-17(2)30(16)24-21(13-26-28(24)3)23(32)27-20-10-8-18(9-11-20)14-29-12-4-5-19(15-29)22(25)31/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H2,25,31)(H,27,32)
InChIKeyAJDZKIMCVIZLID-UHFFFAOYSA-N
XLogP2.78
TPSA98.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507902
(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 95249956
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506879
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 56507133) is 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)cnn1C.
What is the InChIKey of 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is AJDZKIMCVIZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-6-7-17(2)30(16)24-21(13-26-28(24)3)23(32)27-20-10-8-18(9-11-20)14-29-12-4-5-19(15-29)22(25)31/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H2,25,31)(H,27,32).
What are the key properties of 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56507133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).