6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

C28H38N6O2 — CID 124956223

IUPAC6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)C3CCN(C4CCN(C)CC4)CC3)n2)nc1
InChIInChI=1S/C28H38N6O2/c1-20-8-9-26(29-19-20)31-27(35)24-6-3-5-23(30-24)25-7-4-14-34(25)28(36)21-10-17-33(18-11-21)22-12-15-32(2)16-13-22/h3,5-6,8-9,19,21-22,25H,4,7,10-18H2,1-2H3,(H,29,31,35)/t25-/m1/s1
InChIKeyFPZGMHOWOJIQBN-RUZDIDTESA-N
MW490.65 g/mol
LogP3.51
Rot. Bonds5

About 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 124956223) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID124956223
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC Name6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)C3CCN(C4CCN(C)CC4)CC3)n2)nc1
InChIInChI=1S/C28H38N6O2/c1-20-8-9-26(29-19-20)31-27(35)24-6-3-5-23(30-24)25-7-4-14-34(25)28(36)21-10-17-33(18-11-21)22-12-15-32(2)16-13-22/h3,5-6,8-9,19,21-22,25H,4,7,10-18H2,1-2H3,(H,29,31,35)/t25-/m1/s1
InChIKeyFPZGMHOWOJIQBN-RUZDIDTESA-N
XLogP3.51
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 124956223) is 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)C3CCN(C4CCN(C)CC4)CC3)n2)nc1.
What is the InChIKey of 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is FPZGMHOWOJIQBN-RUZDIDTESA-N. The full InChI is InChI=1S/C28H38N6O2/c1-20-8-9-26(29-19-20)31-27(35)24-6-3-5-23(30-24)25-7-4-14-34(25)28(36)21-10-17-33(18-11-21)22-12-15-32(2)16-13-22/h3,5-6,8-9,19,21-22,25H,4,7,10-18H2,1-2H3,(H,29,31,35)/t25-/m1/s1.
What are the key properties of 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 124956223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).