N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide

C18H25N5O2S — CID 24844512

IUPACN-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide
SMILESCCCCCCC/C(CC1NC(=S)NC1=O)=N/NC(=O)c1ccncc1
InChIInChI=1S/C18H25N5O2S/c1-2-3-4-5-6-7-14(12-15-17(25)21-18(26)20-15)22-23-16(24)13-8-10-19-11-9-13/h8-11,15H,2-7,12H2,1H3,(H,23,24)(H2,20,21,25,26)/b22-14-
InChIKeyYEMBNRQETHNPPN-HMAPJEAMSA-N
MW375.50 g/mol
LogP2.29
Rot. Bonds10

About N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide

N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide (PubChem CID 24844512) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide
PubChem CID24844512
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide
SMILESCCCCCCC/C(CC1NC(=S)NC1=O)=N/NC(=O)c1ccncc1
InChIInChI=1S/C18H25N5O2S/c1-2-3-4-5-6-7-14(12-15-17(25)21-18(26)20-15)22-23-16(24)13-8-10-19-11-9-13/h8-11,15H,2-7,12H2,1H3,(H,23,24)(H2,20,21,25,26)/b22-14-
InChIKeyYEMBNRQETHNPPN-HMAPJEAMSA-N
XLogP2.29
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)octan-3-ylideneamino]pyridine-4-carboxamide
CID 4208994
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CID 2838403
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
1-pyridin-4-ylhexadecan-1-one
CID 102412701
N-hexylpyridine-4-carboxamide
CID 3423732
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
2-(4-butoxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
CID 4613458
N-pentylpyridine-4-carboxamide
CID 2307296
N'-undecylpyridine-4-carbohydrazide
CID 27387
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide (CID 24844512) is N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide is CCCCCCC/C(CC1NC(=S)NC1=O)=N/NC(=O)c1ccncc1.
What is the InChIKey of N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide?
The InChIKey is YEMBNRQETHNPPN-HMAPJEAMSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-2-3-4-5-6-7-14(12-15-17(25)21-18(26)20-15)22-23-16(24)13-8-10-19-11-9-13/h8-11,15H,2-7,12H2,1H3,(H,23,24)(H2,20,21,25,26)/b22-14-.
What are the key properties of N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)nonan-2-ylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 24844512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).