N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide

C20H23N3O2 — CID 109080597

IUPACN-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O2/c1-3-15-8-6-7-14(2)18(15)22-19(24)16-9-10-21-17(13-16)20(25)23-11-4-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyAVJKHZVFPZXABQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.44
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109080597) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109080597
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O2/c1-3-15-8-6-7-14(2)18(15)22-19(24)16-9-10-21-17(13-16)20(25)23-11-4-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyAVJKHZVFPZXABQ-UHFFFAOYSA-N
XLogP3.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 109090661
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
4-N-(2-ethyl-6-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085969
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
2-(ethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 62184923
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (CID 109080597) is N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is AVJKHZVFPZXABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-15-8-6-7-14(2)18(15)22-19(24)16-9-10-21-17(13-16)20(25)23-11-4-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109080597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).