N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide

C20H26N4O — CID 124945275

IUPACN-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
SMILESCN(C)c1nc([C@@H]2CCCNC2)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N4O/c1-24(2)19-17(20(25)22-13-15-7-4-3-5-8-15)10-11-18(23-19)16-9-6-12-21-14-16/h3-5,7-8,10-11,16,21H,6,9,12-14H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyBPTKEHVSBIDCFH-MRXNPFEDSA-N
MW338.46 g/mol
LogP2.54
Rot. Bonds5

About N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide

N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 124945275) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
PubChem CID124945275
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
SMILESCN(C)c1nc([C@@H]2CCCNC2)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N4O/c1-24(2)19-17(20(25)22-13-15-7-4-3-5-8-15)10-11-18(23-19)16-9-6-12-21-14-16/h3-5,7-8,10-11,16,21H,6,9,12-14H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyBPTKEHVSBIDCFH-MRXNPFEDSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide (CID 124945275) is N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide is CN(C)c1nc([C@@H]2CCCNC2)ccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is BPTKEHVSBIDCFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24(2)19-17(20(25)22-13-15-7-4-3-5-8-15)10-11-18(23-19)16-9-6-12-21-14-16/h3-5,7-8,10-11,16,21H,6,9,12-14H2,1-2H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?
N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 124945275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).