N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide

C28H33N5O2 — CID 118144152

IUPACN-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)C1CCCN1
InChIInChI=1S/C28H33N5O2/c1-19-5-6-23(16-26(19)31-27(34)25-4-3-13-29-25)28(35)33-14-11-22(12-15-33)20-7-9-21(10-8-20)24-17-30-32(2)18-24/h5-10,16-18,22,25,29H,3-4,11-15H2,1-2H3,(H,31,34)
InChIKeyXEPNXSDHJWHWBP-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.11
Rot. Bonds5

About N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide

N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 118144152) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID118144152
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)C1CCCN1
InChIInChI=1S/C28H33N5O2/c1-19-5-6-23(16-26(19)31-27(34)25-4-3-13-29-25)28(35)33-14-11-22(12-15-33)20-7-9-21(10-8-20)24-17-30-32(2)18-24/h5-10,16-18,22,25,29H,3-4,11-15H2,1-2H3,(H,31,34)
InChIKeyXEPNXSDHJWHWBP-UHFFFAOYSA-N
XLogP4.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 118146836
2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
CID 118144211
6-(dimethylamino)-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646018
(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118143965
cis-(1S,2R)-N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-hydroxycyclohexane-1-carboxamide
CID 89272768
1-(2-chloropyrimidin-5-yl)-2-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 159907912
(4-fluoro-3-nitrophenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118144097
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
2-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-1-(1-propylazetidin-3-yl)ethanone
CID 160997400
6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646006
N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 159153204
N-[2-(cyclopropylamino)-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144241

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide (CID 118144152) is N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)C1CCCN1.
What is the InChIKey of N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XEPNXSDHJWHWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-19-5-6-23(16-26(19)31-27(34)25-4-3-13-29-25)28(35)33-14-11-22(12-15-33)20-7-9-21(10-8-20)24-17-30-32(2)18-24/h5-10,16-18,22,25,29H,3-4,11-15H2,1-2H3,(H,31,34).
What are the key properties of N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide?
N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118144152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).