N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

C17H29N5O2 — CID 109153978

IUPACN-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C17H29N5O2/c1-21(2)8-3-6-19-17(23)15-4-5-16(20-14-15)18-7-9-22-10-12-24-13-11-22/h4-5,14H,3,6-13H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyZTHGMKOILFOVGI-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.51
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (PubChem CID 109153978) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
PubChem CID109153978
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C17H29N5O2/c1-21(2)8-3-6-19-17(23)15-4-5-16(20-14-15)18-7-9-22-10-12-24-13-11-22/h4-5,14H,3,6-13H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyZTHGMKOILFOVGI-UHFFFAOYSA-N
XLogP0.51
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154098
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153848
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229586
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115327
N-(2,6-difluorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154096
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154121

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (CID 109153978) is N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(NCCN2CCOCC2)nc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The InChIKey is ZTHGMKOILFOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-21(2)8-3-6-19-17(23)15-4-5-16(20-14-15)18-7-9-22-10-12-24-13-11-22/h4-5,14H,3,6-13H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).