N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide

C12H19N3O — CID 142635007

IUPACN'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide
SMILESCC(C)N(C=Nc1ncccc1O)C(C)C
InChIInChI=1S/C12H19N3O/c1-9(2)15(10(3)4)8-14-12-11(16)6-5-7-13-12/h5-10,16H,1-4H3
InChIKeyBDNSTWDMBQTACU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.57
Rot. Bonds4

About N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide

N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide (PubChem CID 142635007) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide
PubChem CID142635007
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide
SMILESCC(C)N(C=Nc1ncccc1O)C(C)C
InChIInChI=1S/C12H19N3O/c1-9(2)15(10(3)4)8-14-12-11(16)6-5-7-13-12/h5-10,16H,1-4H3
InChIKeyBDNSTWDMBQTACU-UHFFFAOYSA-N
XLogP2.57
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide?
The IUPAC name of N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide (CID 142635007) is N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide.
What is the SMILES notation for N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide?
The canonical SMILES for N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide is CC(C)N(C=Nc1ncccc1O)C(C)C.
What is the InChIKey of N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide?
The InChIKey is BDNSTWDMBQTACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)15(10(3)4)8-14-12-11(16)6-5-7-13-12/h5-10,16H,1-4H3.
What are the key properties of N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide?
N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide has a molecular weight of 221.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide is sourced from PubChem (CID 142635007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).