[6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol

C17H17N5O2 — CID 54297235

IUPAC[6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol
SMILESOC(Nc1ccccn1)c1cccc(C(O)Nc2ccccn2)n1
InChIInChI=1S/C17H17N5O2/c23-16(21-14-8-1-3-10-18-14)12-6-5-7-13(20-12)17(24)22-15-9-2-4-11-19-15/h1-11,16-17,23-24H,(H,18,21)(H,19,22)
InChIKeySBQJHGGLHQYLST-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.08
Rot. Bonds6

About [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol

[6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol (PubChem CID 54297235) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol.

Molecular Properties

Compound Name[6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol
PubChem CID54297235
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name[6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol
SMILESOC(Nc1ccccn1)c1cccc(C(O)Nc2ccccn2)n1
InChIInChI=1S/C17H17N5O2/c23-16(21-14-8-1-3-10-18-14)12-6-5-7-13(20-12)17(24)22-15-9-2-4-11-19-15/h1-11,16-17,23-24H,(H,18,21)(H,19,22)
InChIKeySBQJHGGLHQYLST-UHFFFAOYSA-N
XLogP2.08
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(pyridin-2-ylamino)ethanol
CID 20521375
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol
CID 20587678
6-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 70974280
[6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol
CID 144986660
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
methanol;N-methylpyridin-2-amine
CID 174971654
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
dichlorocobalt;N-propan-2-ylpyridin-2-amine
CID 175191424
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070
1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
CID 133400189
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616

Frequently Asked Questions

What is the IUPAC name of [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol?
The IUPAC name of [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol (CID 54297235) is [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol.
What is the SMILES notation for [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol?
The canonical SMILES for [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol is OC(Nc1ccccn1)c1cccc(C(O)Nc2ccccn2)n1.
What is the InChIKey of [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol?
The InChIKey is SBQJHGGLHQYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16(21-14-8-1-3-10-18-14)12-6-5-7-13(20-12)17(24)22-15-9-2-4-11-19-15/h1-11,16-17,23-24H,(H,18,21)(H,19,22).
What are the key properties of [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol?
[6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol has a molecular weight of 323.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol is sourced from PubChem (CID 54297235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).