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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Related Compounds

2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
CID 135912097
2-[(E)-(3-hydroxy-2-pyridinyl)diazenyl]pyridin-3-ol
CID 137201296
N'-(3-hydroxy-2-pyridinyl)ethanimidamide
CID 10351864
N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide
CID 14221892
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
2-(methyliminomethyl)pyridin-3-ol
CID 136948272
2-(1-bromoethyl)pyridin-3-ol
CID 174581885
N'-(3-hydroxy-2-pyridinyl)butanimidamide
CID 22871178
2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol
CID 135478369
2-[(E)-[5-[(E)-(3-hydroxy-2-pyridinyl)diazenyl]furan-2-yl]diazenyl]pyridin-3-ol;dihydrochloride
CID 140512777
2-(N-propan-2-yl-C-pyridin-2-ylcarbonimidoyl)phenol
CID 135930307
7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one
CID 155294759

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).