2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride

C29H37Cl2N5O3 — CID 71767814

IUPAC2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cl
InChIInChI=1S/C29H36ClN5O3.ClH/c1-18-14-20(6-7-24(18)30)17-34-12-10-23(11-13-34)35-25(8-9-27(35)36)29(38)33-26-16-21(15-19(2)31-26)28(37)32-22-4-3-5-22;/h6-7,14-16,22-23,25H,3-5,8-13,17H2,1-2H3,(H,32,37)(H,31,33,38);1H/t25-;/m1./s1
InChIKeyKWCXQOKZYBWTGG-VQIWEWKSSA-N
MW574.55 g/mol
LogP4.65
Rot. Bonds7

About 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride

2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride (PubChem CID 71767814) has the molecular formula C29H37Cl2N5O3 and a molecular weight of 574.55 g/mol. Its IUPAC name is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride
PubChem CID71767814
Molecular FormulaC29H37Cl2N5O3
Molecular Weight574.55 g/mol
Exact Mass573.23
IUPAC Name2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cl
InChIInChI=1S/C29H36ClN5O3.ClH/c1-18-14-20(6-7-24(18)30)17-34-12-10-23(11-13-34)35-25(8-9-27(35)36)29(38)33-26-16-21(15-19(2)31-26)28(37)32-22-4-3-5-22;/h6-7,14-16,22-23,25H,3-5,8-13,17H2,1-2H3,(H,32,37)(H,31,33,38);1H/t25-;/m1./s1
InChIKeyKWCXQOKZYBWTGG-VQIWEWKSSA-N
XLogP4.65
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride?
The IUPAC name of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride (CID 71767814) is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cl.
What is the InChIKey of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride?
The InChIKey is KWCXQOKZYBWTGG-VQIWEWKSSA-N. The full InChI is InChI=1S/C29H36ClN5O3.ClH/c1-18-14-20(6-7-24(18)30)17-34-12-10-23(11-13-34)35-25(8-9-27(35)36)29(38)33-26-16-21(15-19(2)31-26)28(37)32-22-4-3-5-22;/h6-7,14-16,22-23,25H,3-5,8-13,17H2,1-2H3,(H,32,37)(H,31,33,38);1H/t25-;/m1./s1.
What are the key properties of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride?
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride has a molecular weight of 574.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 71767814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).