N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

C22H27N3O2 — CID 109107428

IUPACN-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C22H27N3O2/c1-4-19-9-5-6-11-25(19)22(27)18-12-17(13-23-14-18)21(26)24-20-10-7-8-15(2)16(20)3/h7-8,10,12-14,19H,4-6,9,11H2,1-3H3,(H,24,26)
InChIKeyKHJCKDQYFCPNRZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.36
Rot. Bonds4

About N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109107428) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109107428
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C22H27N3O2/c1-4-19-9-5-6-11-25(19)22(27)18-12-17(13-23-14-18)21(26)24-20-10-7-8-15(2)16(20)3/h7-8,10,12-14,19H,4-6,9,11H2,1-3H3,(H,24,26)
InChIKeyKHJCKDQYFCPNRZ-UHFFFAOYSA-N
XLogP4.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056461
N-(2-ethyl-6-methylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107432
N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
3-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109056450
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109048897
N-(2,4-dimethoxyphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107460
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109105660

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 109107428) is N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is CCC1CCCCN1C(=O)c1cncc(C(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is KHJCKDQYFCPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-19-9-5-6-11-25(19)22(27)18-12-17(13-23-14-18)21(26)24-20-10-7-8-15(2)16(20)3/h7-8,10,12-14,19H,4-6,9,11H2,1-3H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109107428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).