4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide

C20H25N3O — CID 95125725

IUPAC4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(-c2cccc([C@@H](C)N3CCCC3)c2)n1
InChIInChI=1S/C20H25N3O/c1-13-11-14(2)22-19(18(13)20(21)24)17-8-6-7-16(12-17)15(3)23-9-4-5-10-23/h6-8,11-12,15H,4-5,9-10H2,1-3H3,(H2,21,24)/t15-/m1/s1
InChIKeyJZQDNYWPLZECDH-OAHLLOKOSA-N
MW323.44 g/mol
LogP3.62
Rot. Bonds4

About 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide

4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide (PubChem CID 95125725) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
PubChem CID95125725
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(-c2cccc([C@@H](C)N3CCCC3)c2)n1
InChIInChI=1S/C20H25N3O/c1-13-11-14(2)22-19(18(13)20(21)24)17-8-6-7-16(12-17)15(3)23-9-4-5-10-23/h6-8,11-12,15H,4-5,9-10H2,1-3H3,(H2,21,24)/t15-/m1/s1
InChIKeyJZQDNYWPLZECDH-OAHLLOKOSA-N
XLogP3.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide
CID 125440907
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
1-ethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122566893
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide (CID 95125725) is 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(-c2cccc([C@@H](C)N3CCCC3)c2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JZQDNYWPLZECDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13-11-14(2)22-19(18(13)20(21)24)17-8-6-7-16(12-17)15(3)23-9-4-5-10-23/h6-8,11-12,15H,4-5,9-10H2,1-3H3,(H2,21,24)/t15-/m1/s1.
What are the key properties of 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide?
4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 95125725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).