N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide

C15H22N4O2 — CID 106753929

IUPACN-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2(/C(N)=N/O)CCCCCC2)ccn1
InChIInChI=1S/C15H22N4O2/c1-11-10-12(6-9-17-11)13(20)18-15(14(16)19-21)7-4-2-3-5-8-15/h6,9-10,21H,2-5,7-8H2,1H3,(H2,16,19)(H,18,20)
InChIKeyGIUVHRDXNHBOOJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.96
Rot. Bonds3

About N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide

N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753929) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
PubChem CID106753929
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2(/C(N)=N/O)CCCCCC2)ccn1
InChIInChI=1S/C15H22N4O2/c1-11-10-12(6-9-17-11)13(20)18-15(14(16)19-21)7-4-2-3-5-8-15/h6,9-10,21H,2-5,7-8H2,1H3,(H2,16,19)(H,18,20)
InChIKeyGIUVHRDXNHBOOJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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 N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide (CID 106753929) is N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC2(/C(N)=N/O)CCCCCC2)ccn1.
What is the InChIKey of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide?
The InChIKey is GIUVHRDXNHBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-10-12(6-9-17-11)13(20)18-15(14(16)19-21)7-4-2-3-5-8-15/h6,9-10,21H,2-5,7-8H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide?
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).