N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide

C20H25N3O — CID 77092102

IUPACN,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
SMILESCC(c1cccc(-c2cccc(C(=O)N(C)C)n2)c1)N1CCCC1
InChIInChI=1S/C20H25N3O/c1-15(23-12-4-5-13-23)16-8-6-9-17(14-16)18-10-7-11-19(21-18)20(24)22(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeySBRYVVAZOFMDHN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.61
Rot. Bonds4

About N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide

N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide (PubChem CID 77092102) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
PubChem CID77092102
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
SMILESCC(c1cccc(-c2cccc(C(=O)N(C)C)n2)c1)N1CCCC1
InChIInChI=1S/C20H25N3O/c1-15(23-12-4-5-13-23)16-8-6-9-17(14-16)18-10-7-11-19(21-18)20(24)22(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeySBRYVVAZOFMDHN-UHFFFAOYSA-N
XLogP3.61
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
CID 99952412
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
methyl 4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrrole-2-carboxylate
CID 95220274
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
CID 95125725
formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one
CID 154907704
4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
CID 122560088
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
3-methylsulfanyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126427612

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide (CID 77092102) is N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide is CC(c1cccc(-c2cccc(C(=O)N(C)C)n2)c1)N1CCCC1.
What is the InChIKey of N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is SBRYVVAZOFMDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(23-12-4-5-13-23)16-8-6-9-17(14-16)18-10-7-11-19(21-18)20(24)22(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide?
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.61, 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-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 77092102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).