4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine

C14H20N4O3 — CID 154763446

IUPAC4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine
SMILESCc1ccnc(NC2CC(N3CCOCC3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-10-2-3-15-14(13(10)18(19)20)16-11-8-12(9-11)17-4-6-21-7-5-17/h2-3,11-12H,4-9H2,1H3,(H,15,16)
InChIKeyAESPVIDWQWDUPH-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.57
Rot. Bonds4

About 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine

4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine (PubChem CID 154763446) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine
PubChem CID154763446
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine
SMILESCc1ccnc(NC2CC(N3CCOCC3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-10-2-3-15-14(13(10)18(19)20)16-11-8-12(9-11)17-4-6-21-7-5-17/h2-3,11-12H,4-9H2,1H3,(H,15,16)
InChIKeyAESPVIDWQWDUPH-UHFFFAOYSA-N
XLogP1.57
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
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-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
4-[(4-methyl-3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66241505
4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 154763477
N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
CID 103704813
4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
CID 144594517
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
2,6-dimethyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine
CID 126823280
N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
CID 83026251
4-[3-(5-chloro-3-methyl-4-nitropyrazol-1-yl)cyclobutyl]morpholine
CID 170357651
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817039

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine (CID 154763446) is 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine is Cc1ccnc(NC2CC(N3CCOCC3)C2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine?
The InChIKey is AESPVIDWQWDUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-2-3-15-14(13(10)18(19)20)16-11-8-12(9-11)17-4-6-21-7-5-17/h2-3,11-12H,4-9H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine?
4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 154763446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).