2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol

C13H15N3O4 — CID 133323722

IUPAC2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1cc([N+](=O)[O-])cnc1NCC(C)(O)c1ccco1
InChIInChI=1S/C13H15N3O4/c1-9-6-10(16(18)19)7-14-12(9)15-8-13(2,17)11-4-3-5-20-11/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeyISIPISLVGJKFCJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.21
Rot. Bonds5

About 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol

2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 133323722) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID133323722
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1cc([N+](=O)[O-])cnc1NCC(C)(O)c1ccco1
InChIInChI=1S/C13H15N3O4/c1-9-6-10(16(18)19)7-14-12(9)15-8-13(2,17)11-4-3-5-20-11/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeyISIPISLVGJKFCJ-UHFFFAOYSA-N
XLogP2.21
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.21
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

2,2-difluoro-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 114384478
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide
CID 121085993
2-(furan-2-yl)-1-[4-nitro-3-(trifluoromethyl)anilino]propan-2-ol
CID 133340994
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
CID 113234160
2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-6-nitroquinoline-4-carbonitrile
CID 133323786
2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 62476852
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 55081127

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol (CID 133323722) is 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol is Cc1cc([N+](=O)[O-])cnc1NCC(C)(O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is ISIPISLVGJKFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-9-6-10(16(18)19)7-14-12(9)15-8-13(2,17)11-4-3-5-20-11/h3-7,17H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 277.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 133323722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).