7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide

C26H41N7O3 — CID 72735059

IUPAC7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide
SMILESN#CN/C(=N\CCCCCCC(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1cccnc1
InChIInChI=1S/C26H41N7O3/c27-22-30-26(31-23-9-8-13-28-21-23)29-14-7-2-1-6-12-25(34)33(24-10-4-3-5-11-24)36-20-17-32-15-18-35-19-16-32/h8-9,13,21,24H,1-7,10-12,14-20H2,(H2,29,30,31)
InChIKeyOIMZFPPUIXFWBO-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.30
Rot. Bonds13

About 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide

7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide (PubChem CID 72735059) has the molecular formula C26H41N7O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide.

Molecular Properties

Compound Name7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide
PubChem CID72735059
Molecular FormulaC26H41N7O3
Molecular Weight499.66 g/mol
Exact Mass499.33
IUPAC Name7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide
SMILESN#CN/C(=N\CCCCCCC(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1cccnc1
InChIInChI=1S/C26H41N7O3/c27-22-30-26(31-23-9-8-13-28-21-23)29-14-7-2-1-6-12-25(34)33(24-10-4-3-5-11-24)36-20-17-32-15-18-35-19-16-32/h8-9,13,21,24H,1-7,10-12,14-20H2,(H2,29,30,31)
InChIKeyOIMZFPPUIXFWBO-UHFFFAOYSA-N
XLogP3.30
TPSA115.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide
CID 44123681
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide
CID 46184344
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamothioylamino)heptanamide
CID 46184581
N-benzyl-8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)octanamide
CID 72734880
N-benzyl-6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)hexanamide
CID 72734881
N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 25343116
4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(2-morpholinoethyl)-2-phenyl-
CID 3087168
n-(6-Morpholinopyridin-3-yl)isobutyramide
CID 24297937
3-Cyclopentyl-1-[6-(morpholin-4-YL)pyridin-3-YL]urea
CID 38203859
3-[6-(Morpholin-4-yl)pyridin-3-yl]-1-(2-oxoazepan-3-yl)urea
CID 53505134
1-(2-Morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea
CID 71937794
N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24299196

Frequently Asked Questions

What is the IUPAC name of 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide?
The IUPAC name of 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide (CID 72735059) is 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide.
What is the SMILES notation for 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide?
The canonical SMILES for 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide is N#CN/C(=N\CCCCCCC(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1cccnc1.
What is the InChIKey of 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide?
The InChIKey is OIMZFPPUIXFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N7O3/c27-22-30-26(31-23-9-8-13-28-21-23)29-14-7-2-1-6-12-25(34)33(24-10-4-3-5-11-24)36-20-17-32-15-18-35-19-16-32/h8-9,13,21,24H,1-7,10-12,14-20H2,(H2,29,30,31).
What are the key properties of 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide?
7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide has a molecular weight of 499.66 g/mol, XLogP of 3.30, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide is sourced from PubChem (CID 72735059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).