1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide

C15H22N4O2 — CID 107586257

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide
SMILESCc1cncc(NC(=O)C2(/C(N)=N/O)CCCCCC2)c1
InChIInChI=1S/C15H22N4O2/c1-11-8-12(10-17-9-11)18-14(20)15(13(16)19-21)6-4-2-3-5-7-15/h8-10,21H,2-7H2,1H3,(H2,16,19)(H,18,20)
InChIKeyRWGMIZCTBSVJSY-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.42
Rot. Bonds3

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide (PubChem CID 107586257) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide
PubChem CID107586257
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide
SMILESCc1cncc(NC(=O)C2(/C(N)=N/O)CCCCCC2)c1
InChIInChI=1S/C15H22N4O2/c1-11-8-12(10-17-9-11)18-14(20)15(13(16)19-21)6-4-2-3-5-7-15/h8-10,21H,2-7H2,1H3,(H2,16,19)(H,18,20)
InChIKeyRWGMIZCTBSVJSY-UHFFFAOYSA-N
XLogP2.42
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-pyrimidin-5-ylcycloheptane-1-carboxamide
CID 107589495
1-(N'-hydroxycarbamimidoyl)-N-pyrimidin-5-ylcyclohexane-1-carboxamide
CID 107589510
1-[(E)-N'-hydroxycarbamimidoyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 80590918
1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide
CID 76919909
1-(N'-hydroxycarbamimidoyl)-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 77011534
N-(2,6-dibromo-4-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80590262
N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920148
1-(N'-hydroxycarbamimidoyl)-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 76919403
N-(2-fluoro-5-methylphenyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919645
N-(4-bromo-3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclohexane-1-carboxamide
CID 107615223
1-[(E)-N'-hydroxycarbamimidoyl]-N-phenylcyclobutane-1-carboxamide
CID 80590428
N-(2-fluoro-5-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80596684

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide (CID 107586257) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide is Cc1cncc(NC(=O)C2(/C(N)=N/O)CCCCCC2)c1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide?
The InChIKey is RWGMIZCTBSVJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-8-12(10-17-9-11)18-14(20)15(13(16)19-21)6-4-2-3-5-7-15/h8-10,21H,2-7H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 107586257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).