2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide

C15H23N5O — CID 76916110

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C15H23N5O/c1-11-2-5-13(14(16)18-21)15(17-11)20-8-6-19(7-9-20)10-12-3-4-12/h2,5,12,21H,3-4,6-10H2,1H3,(H2,16,18)
InChIKeyHTEPCNYWECTXON-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.02
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916110) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916110
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C15H23N5O/c1-11-2-5-13(14(16)18-21)15(17-11)20-8-6-19(7-9-20)10-12-3-4-12/h2,5,12,21H,3-4,6-10H2,1H3,(H2,16,18)
InChIKeyHTEPCNYWECTXON-UHFFFAOYSA-N
XLogP1.02
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916110) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is HTEPCNYWECTXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-2-5-13(14(16)18-21)15(17-11)20-8-6-19(7-9-20)10-12-3-4-12/h2,5,12,21H,3-4,6-10H2,1H3,(H2,16,18).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 289.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).