N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

C18H27N3O2 — CID 108948907

IUPACN-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C18H27N3O2/c1-21(13-10-15-8-11-19-12-9-15)18(23)14-17(22)20-16-6-4-2-3-5-7-16/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,20,22)
InChIKeyVXBWOHIBZBRRLM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.31
Rot. Bonds6

About N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108948907) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108948907
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C18H27N3O2/c1-21(13-10-15-8-11-19-12-9-15)18(23)14-17(22)20-16-6-4-2-3-5-7-16/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,20,22)
InChIKeyVXBWOHIBZBRRLM-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109014143
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109132403
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
3-cyclopropyl-1-methyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507582
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214735
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea
CID 113013548

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108948907) is N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is CN(CCc1ccncc1)C(=O)CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is VXBWOHIBZBRRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21(13-10-15-8-11-19-12-9-15)18(23)14-17(22)20-16-6-4-2-3-5-7-16/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,20,22).
What are the key properties of N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 317.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108948907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).