N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide

C21H28N4O2 — CID 109167966

IUPACN-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)NCCN3CCOCC3)ccn2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-15-12-16(2)20(17(3)13-15)24-19-14-18(4-5-22-19)21(26)23-6-7-25-8-10-27-11-9-25/h4-5,12-14H,6-11H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyRPKQCLFDWKBVCO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.81
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide (PubChem CID 109167966) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
PubChem CID109167966
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)NCCN3CCOCC3)ccn2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-15-12-16(2)20(17(3)13-15)24-19-14-18(4-5-22-19)21(26)23-6-7-25-8-10-27-11-9-25/h4-5,12-14H,6-11H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyRPKQCLFDWKBVCO-UHFFFAOYSA-N
XLogP2.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956
2-(2,3-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167959
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083747
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168006
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
2-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167991
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167930
4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide (CID 109167966) is N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide is Cc1cc(C)c(Nc2cc(C(=O)NCCN3CCOCC3)ccn2)c(C)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide?
The InChIKey is RPKQCLFDWKBVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-12-16(2)20(17(3)13-15)24-19-14-18(4-5-22-19)21(26)23-6-7-25-8-10-27-11-9-25/h4-5,12-14H,6-11H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109167966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).