1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol

C13H19N3O3 — CID 133306955

IUPAC1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCc1ccnc(NCC(O)C2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-6-7-14-13(12(9)16(18)19)15-8-11(17)10-4-2-3-5-10/h6-7,10-11,17H,2-5,8H2,1H3,(H,14,15)
InChIKeyUXYLBGJRFFKYNI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol

1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 133306955) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
PubChem CID133306955
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCc1ccnc(NCC(O)C2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-6-7-14-13(12(9)16(18)19)15-8-11(17)10-4-2-3-5-10/h6-7,10-11,17H,2-5,8H2,1H3,(H,14,15)
InChIKeyUXYLBGJRFFKYNI-UHFFFAOYSA-N
XLogP2.26
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 133441885
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80829831
1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115629511
1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 65193961
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180
2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64817052
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577201
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol (CID 133306955) is 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol is Cc1ccnc(NCC(O)C2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is UXYLBGJRFFKYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-7-14-13(12(9)16(18)19)15-8-11(17)10-4-2-3-5-10/h6-7,10-11,17H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 265.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 133306955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).