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

C20H26N4O2 — CID 109207509

IUPAC4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1Nc1ccnc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H26N4O2/c1-15-4-3-5-16(2)19(15)23-17-6-7-21-18(14-17)20(25)22-8-9-24-10-12-26-13-11-24/h3-7,14H,8-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJORRAHKWPUZOJA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.50
Rot. Bonds6

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

4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109207509) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109207509
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1Nc1ccnc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H26N4O2/c1-15-4-3-5-16(2)19(15)23-17-6-7-21-18(14-17)20(25)22-8-9-24-10-12-26-13-11-24/h3-7,14H,8-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJORRAHKWPUZOJA-UHFFFAOYSA-N
XLogP2.50
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (CID 109207509) is 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is Cc1cccc(C)c1Nc1ccnc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is JORRAHKWPUZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-4-3-5-16(2)19(15)23-17-6-7-21-18(14-17)20(25)22-8-9-24-10-12-26-13-11-24/h3-7,14H,8-13H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109207509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).