[3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol

C20H19N3O4 — CID 133438637

IUPAC[3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol
SMILESCOc1ccccc1C(Nc1cc(CO)ccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C20H19N3O4/c1-27-19-8-3-2-6-15(19)20(16-7-4-5-11-21-16)22-17-12-14(13-24)9-10-18(17)23(25)26/h2-12,20,22,24H,13H2,1H3
InChIKeyBOTFNPNDUMLXHY-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.69
Rot. Bonds7

About [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol

[3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol (PubChem CID 133438637) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol
PubChem CID133438637
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol
SMILESCOc1ccccc1C(Nc1cc(CO)ccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C20H19N3O4/c1-27-19-8-3-2-6-15(19)20(16-7-4-5-11-21-16)22-17-12-14(13-24)9-10-18(17)23(25)26/h2-12,20,22,24H,13H2,1H3
InChIKeyBOTFNPNDUMLXHY-UHFFFAOYSA-N
XLogP3.69
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[5-(hydroxymethyl)-2-nitroanilino]pentan-1-ol
CID 133438314
(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol
CID 21459111
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 27702363
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 27702361
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-nitrophenyl)ethane-1,2-diamine
CID 42909444
(2R)-2-hydroxy-N-[(S)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-2-phenylacetamide
CID 97248197
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-fluoro-2-nitroaniline
CID 133364043
[3-nitro-4-[[phenyl(pyridin-2-yl)methyl]amino]phenyl]-phenylmethanone
CID 18229956
[3-[(4-ethoxy-3-fluorophenyl)methylamino]-4-nitrophenyl]methanol
CID 133437637
[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 115982092
(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol?
The IUPAC name of [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol (CID 133438637) is [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol is COc1ccccc1C(Nc1cc(CO)ccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol?
The InChIKey is BOTFNPNDUMLXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-27-19-8-3-2-6-15(19)20(16-7-4-5-11-21-16)22-17-12-14(13-24)9-10-18(17)23(25)26/h2-12,20,22,24H,13H2,1H3.
What are the key properties of [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol?
[3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol has a molecular weight of 365.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-methoxyphenyl)-pyridin-2-ylmethyl]amino]-4-nitrophenyl]methanol is sourced from PubChem (CID 133438637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).