[6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol

C16H19N3O3 — CID 144986660

IUPAC[6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol
SMILESCc1cc(O[C@H]2CCOC2)cc(C(O)Nc2ccccn2)n1
InChIInChI=1S/C16H19N3O3/c1-11-8-13(22-12-5-7-21-10-12)9-14(18-11)16(20)19-15-4-2-3-6-17-15/h2-4,6,8-9,12,16,20H,5,7,10H2,1H3,(H,17,19)/t12-,16?/m0/s1
InChIKeySHRMLKKGPSTCOQ-HKALDPMFSA-N
MW301.35 g/mol
LogP2.06
Rot. Bonds5

About [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol

[6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol (PubChem CID 144986660) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol.

Molecular Properties

Compound Name[6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol
PubChem CID144986660
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol
SMILESCc1cc(O[C@H]2CCOC2)cc(C(O)Nc2ccccn2)n1
InChIInChI=1S/C16H19N3O3/c1-11-8-13(22-12-5-7-21-10-12)9-14(18-11)16(20)19-15-4-2-3-6-17-15/h2-4,6,8-9,12,16,20H,5,7,10H2,1H3,(H,17,19)/t12-,16?/m0/s1
InChIKeySHRMLKKGPSTCOQ-HKALDPMFSA-N
XLogP2.06
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 178043736
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-[(3R)-oxolan-3-yl]oxypyridine-2-carboxamide
CID 118613176
N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine
CID 63558303
2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine
CID 130436955
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide
CID 107548634
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
CID 107545937
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
N-[(1S)-1-[4-[(3R)-1-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668899

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol?
The IUPAC name of [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol (CID 144986660) is [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol.
What is the SMILES notation for [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol?
The canonical SMILES for [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol is Cc1cc(O[C@H]2CCOC2)cc(C(O)Nc2ccccn2)n1.
What is the InChIKey of [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol?
The InChIKey is SHRMLKKGPSTCOQ-HKALDPMFSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-8-13(22-12-5-7-21-10-12)9-14(18-11)16(20)19-15-4-2-3-6-17-15/h2-4,6,8-9,12,16,20H,5,7,10H2,1H3,(H,17,19)/t12-,16?/m0/s1.
What are the key properties of [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol?
[6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol has a molecular weight of 301.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-(pyridin-2-ylamino)methanol is sourced from PubChem (CID 144986660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).