1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

C15H22N4O2 — CID 76980113

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C(N)=NO)CCCCC2)cn1
InChIInChI=1S/C15H22N4O2/c1-11-5-6-12(9-17-11)10-18-14(20)15(13(16)19-21)7-3-2-4-8-15/h5-6,9,21H,2-4,7-8,10H2,1H3,(H2,16,19)(H,18,20)
InChIKeyICNPEBIYQFTOOH-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.70
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (PubChem CID 76980113) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
PubChem CID76980113
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C(N)=NO)CCCCC2)cn1
InChIInChI=1S/C15H22N4O2/c1-11-5-6-12(9-17-11)10-18-14(20)15(13(16)19-21)7-3-2-4-8-15/h5-6,9,21H,2-4,7-8,10H2,1H3,(H2,16,19)(H,18,20)
InChIKeyICNPEBIYQFTOOH-UHFFFAOYSA-N
XLogP1.70
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (CID 76980113) is 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is Cc1ccc(CNC(=O)C2(C(N)=NO)CCCCC2)cn1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ICNPEBIYQFTOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-5-6-12(9-17-11)10-18-14(20)15(13(16)19-21)7-3-2-4-8-15/h5-6,9,21H,2-4,7-8,10H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 76980113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).