6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide

C18H29N5O2 — CID 84574058

IUPAC6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)NCCCN3CCOCC3)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-21-8-10-23(11-9-21)17-5-2-4-16(20-17)18(24)19-6-3-7-22-12-14-25-15-13-22/h2,4-5H,3,6-15H2,1H3,(H,19,24)
InChIKeyAGABEOLXDCCYMY-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.29
Rot. Bonds6

About 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide

6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide (PubChem CID 84574058) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
PubChem CID84574058
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)NCCCN3CCOCC3)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-21-8-10-23(11-9-21)17-5-2-4-16(20-17)18(24)19-6-3-7-22-12-14-25-15-13-22/h2,4-5H,3,6-15H2,1H3,(H,19,24)
InChIKeyAGABEOLXDCCYMY-UHFFFAOYSA-N
XLogP0.29
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
6-morpholin-4-ylpyridine-2-carbohydrazide
CID 67450200
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide (CID 84574058) is 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide is CN1CCN(c2cccc(C(=O)NCCCN3CCOCC3)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
The InChIKey is AGABEOLXDCCYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21-8-10-23(11-9-21)17-5-2-4-16(20-17)18(24)19-6-3-7-22-12-14-25-15-13-22/h2,4-5H,3,6-15H2,1H3,(H,19,24).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 84574058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).