N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide

C21H27N3O — CID 99952412

IUPACN,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
SMILESC[C@@H](c1ccc(-c2cccc(C(=O)N(C)C)n2)cc1)N1CCCCC1
InChIInChI=1S/C21H27N3O/c1-16(24-14-5-4-6-15-24)17-10-12-18(13-11-17)19-8-7-9-20(22-19)21(25)23(2)3/h7-13,16H,4-6,14-15H2,1-3H3/t16-/m0/s1
InChIKeyUSZNTJUHRYMWMO-INIZCTEOSA-N
MW337.47 g/mol
LogP4.00
Rot. Bonds4

About N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide

N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide (PubChem CID 99952412) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
PubChem CID99952412
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
SMILESC[C@@H](c1ccc(-c2cccc(C(=O)N(C)C)n2)cc1)N1CCCCC1
InChIInChI=1S/C21H27N3O/c1-16(24-14-5-4-6-15-24)17-10-12-18(13-11-17)19-8-7-9-20(22-19)21(25)23(2)3/h7-13,16H,4-6,14-15H2,1-3H3/t16-/m0/s1
InChIKeyUSZNTJUHRYMWMO-INIZCTEOSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide (CID 99952412) is N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide is C[C@@H](c1ccc(-c2cccc(C(=O)N(C)C)n2)cc1)N1CCCCC1.
What is the InChIKey of N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide?
The InChIKey is USZNTJUHRYMWMO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16(24-14-5-4-6-15-24)17-10-12-18(13-11-17)19-8-7-9-20(22-19)21(25)23(2)3/h7-13,16H,4-6,14-15H2,1-3H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide?
N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 99952412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).