1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol

C11H15N3O3 — CID 115629511

IUPAC1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESCc1ccnc(NCC2(O)CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-8-3-6-12-10(9(8)14(16)17)13-7-11(15)4-2-5-11/h3,6,15H,2,4-5,7H2,1H3,(H,12,13)
InChIKeyYZJABAHDINXAFM-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.63
Rot. Bonds4

About 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol

1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol (PubChem CID 115629511) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
PubChem CID115629511
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESCc1ccnc(NCC2(O)CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-8-3-6-12-10(9(8)14(16)17)13-7-11(15)4-2-5-11/h3,6,15H,2,4-5,7H2,1H3,(H,12,13)
InChIKeyYZJABAHDINXAFM-UHFFFAOYSA-N
XLogP1.63
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.63
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-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 81165359
2-[1-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79845326
1-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 78992994
2-[(1-aminocyclobutyl)methylamino]-3-nitropyridine-4-carbonitrile
CID 103354068
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
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
2-[(1-ethylcyclobutyl)methylamino]-3-nitropyridine-4-carbonitrile
CID 103764880
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1-[(5-methyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 115689232

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol (CID 115629511) is 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol is Cc1ccnc(NCC2(O)CCC2)c1[N+](=O)[O-].
What is the InChIKey of 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is YZJABAHDINXAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-3-6-12-10(9(8)14(16)17)13-7-11(15)4-2-5-11/h3,6,15H,2,4-5,7H2,1H3,(H,12,13).
What are the key properties of 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115629511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).