N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide

C16H22N4O2 — CID 682038

IUPACN'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide
SMILESO=C(CC(=O)NN=C1CCCCCC1)NCc1cccnc1
InChIInChI=1S/C16H22N4O2/c21-15(18-12-13-6-5-9-17-11-13)10-16(22)20-19-14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,12H2,(H,18,21)(H,20,22)
InChIKeyCGKVJOMYBHIHGU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.91
Rot. Bonds5

About N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide

N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide (PubChem CID 682038) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide
PubChem CID682038
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide
SMILESO=C(CC(=O)NN=C1CCCCCC1)NCc1cccnc1
InChIInChI=1S/C16H22N4O2/c21-15(18-12-13-6-5-9-17-11-13)10-16(22)20-19-14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,12H2,(H,18,21)(H,20,22)
InChIKeyCGKVJOMYBHIHGU-UHFFFAOYSA-N
XLogP1.91
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nialamide
CID 4472
2-[2-(4-tert-butylcyclohexylidene)hydrazino]-2-oxo-N-(3-pyridinylmethyl)acetamide
CID 2875252
4-oxo-N-phenyl-4-[2-(4-pyridinylmethylene)hydrazino]butanamide
CID 5339653
N-(2-methylphenyl)-4-oxo-4-[2-(4-pyridinylmethylene)hydrazino]butanamide
CID 5339790
N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
CID 6885445
N-(3-methylphenyl)-4-oxo-4-[2-(3-pyridinylmethylene)hydrazino]butanamide
CID 6895867
4-(3-methylanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]butanamide
CID 9661171
N-(4-Methylphenyl)-3-{N'-[(E)-(pyridin-3-YL)methylidene]hydrazinecarbonyl}propanamide
CID 9662429
N-(4-Fluorophenyl)-3-{N'-[(E)-(pyridin-3-YL)methylidene]hydrazinecarbonyl}propanamide
CID 46495239
3-[(E)-2-pyridin-3-ylethenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 20402500
N-(2,4-difluorobenzyl)-3-oxo-6-(pyridin-4-yl)-2,3-dihydropyridazine-4-carboxamide
CID 45272910
2,2-Dimethyl-1-(3-pyridin-3-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703584

Frequently Asked Questions

What is the IUPAC name of N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide?
The IUPAC name of N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide (CID 682038) is N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide.
What is the SMILES notation for N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide?
The canonical SMILES for N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide is O=C(CC(=O)NN=C1CCCCCC1)NCc1cccnc1.
What is the InChIKey of N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide?
The InChIKey is CGKVJOMYBHIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(18-12-13-6-5-9-17-11-13)10-16(22)20-19-14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,12H2,(H,18,21)(H,20,22).
What are the key properties of N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide?
N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide has a molecular weight of 302.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cycloheptylideneamino)-N-(pyridin-3-ylmethyl)propanediamide is sourced from PubChem (CID 682038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).