2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide

C29H38ClN5O3 — CID 67115103

IUPAC2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C29H38ClN5O3/c1-18(2)16-31-28(37)22-14-20(4)32-26(15-22)33-29(38)25-7-8-27(36)35(25)23-9-11-34(12-10-23)17-21-5-6-24(30)19(3)13-21/h5-6,13-15,18,23,25H,7-12,16-17H2,1-4H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
InChIKeyFNTAOKQFFGXTKD-RUZDIDTESA-N
MW540.11 g/mol
LogP4.33
Rot. Bonds8

About 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide

2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 67115103) has the molecular formula C29H38ClN5O3 and a molecular weight of 540.11 g/mol. Its IUPAC name is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID67115103
Molecular FormulaC29H38ClN5O3
Molecular Weight540.11 g/mol
Exact Mass539.27
IUPAC Name2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C29H38ClN5O3/c1-18(2)16-31-28(37)22-14-20(4)32-26(15-22)33-29(38)25-7-8-27(36)35(25)23-9-11-34(12-10-23)17-21-5-6-24(30)19(3)13-21/h5-6,13-15,18,23,25H,7-12,16-17H2,1-4H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
InChIKeyFNTAOKQFFGXTKD-RUZDIDTESA-N
XLogP4.33
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.11
LogP ≤ 54.33
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]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide 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]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide (CID 67115103) is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide is Cc1cc(C(=O)NCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.
What is the InChIKey of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is FNTAOKQFFGXTKD-RUZDIDTESA-N. The full InChI is InChI=1S/C29H38ClN5O3/c1-18(2)16-31-28(37)22-14-20(4)32-26(15-22)33-29(38)25-7-8-27(36)35(25)23-9-11-34(12-10-23)17-21-5-6-24(30)19(3)13-21/h5-6,13-15,18,23,25H,7-12,16-17H2,1-4H3,(H,31,37)(H,32,33,38)/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]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide?
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 540.11 g/mol, XLogP of 4.33, 8 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]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 67115103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).