6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide

C19H30N4O2 — CID 109096549

IUPAC6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-23(2)14-8-13-20-18(24)16-11-7-12-17(22-16)19(25)21-15-9-5-3-4-6-10-15/h7,11-12,15H,3-6,8-10,13-14H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyUOTQCYRLEYWUNV-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.22
Rot. Bonds7

About 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide

6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide (PubChem CID 109096549) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
PubChem CID109096549
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-23(2)14-8-13-20-18(24)16-11-7-12-17(22-16)19(25)21-15-9-5-3-4-6-10-15/h7,11-12,15H,3-6,8-10,13-14H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyUOTQCYRLEYWUNV-UHFFFAOYSA-N
XLogP2.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099249
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide (CID 109096549) is 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide is CN(C)CCCNC(=O)c1cccc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
The InChIKey is UOTQCYRLEYWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-23(2)14-8-13-20-18(24)16-11-7-12-17(22-16)19(25)21-15-9-5-3-4-6-10-15/h7,11-12,15H,3-6,8-10,13-14H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide?
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).