N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C24H30N4O2 — CID 96530121

IUPACN-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1
InChIInChI=1S/C24H30N4O2/c1-18-16-20(12-15-28(18)17-19-8-3-2-4-9-19)25-23(29)21-10-7-11-22(26-21)24(30)27-13-5-6-14-27/h2-4,7-11,18,20H,5-6,12-17H2,1H3,(H,25,29)/t18-,20-/m0/s1
InChIKeyNORMPTKZHRTKHA-ICSRJNTNSA-N
MW406.53 g/mol
LogP3.10
Rot. Bonds5

About N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 96530121) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID96530121
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1
InChIInChI=1S/C24H30N4O2/c1-18-16-20(12-15-28(18)17-19-8-3-2-4-9-19)25-23(29)21-10-7-11-22(26-21)24(30)27-13-5-6-14-27/h2-4,7-11,18,20H,5-6,12-17H2,1H3,(H,25,29)/t18-,20-/m0/s1
InChIKeyNORMPTKZHRTKHA-ICSRJNTNSA-N
XLogP3.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 96530121) is N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1.
What is the InChIKey of N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is NORMPTKZHRTKHA-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-16-20(12-15-28(18)17-19-8-3-2-4-9-19)25-23(29)21-10-7-11-22(26-21)24(30)27-13-5-6-14-27/h2-4,7-11,18,20H,5-6,12-17H2,1H3,(H,25,29)/t18-,20-/m0/s1.
What are the key properties of N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 96530121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).