5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide

C19H29N3O2 — CID 109107017

IUPAC5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-14(2)9-10-21-18(23)15-11-16(13-20-12-15)19(24)22-17-7-5-3-4-6-8-17/h11-14,17H,3-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOEJBNLCXZYHELM-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.31
Rot. Bonds6

About 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide

5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide (PubChem CID 109107017) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
PubChem CID109107017
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-14(2)9-10-21-18(23)15-11-16(13-20-12-15)19(24)22-17-7-5-3-4-6-8-17/h11-14,17H,3-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOEJBNLCXZYHELM-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
N-cyclopentyl-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224923
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109239784
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673

Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide (CID 109107017) is 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide is CC(C)CCNC(=O)c1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The InChIKey is OEJBNLCXZYHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)9-10-21-18(23)15-11-16(13-20-12-15)19(24)22-17-7-5-3-4-6-8-17/h11-14,17H,3-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).