N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine

C14H19N3O3 — CID 133473587

IUPACN-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCOC(C2CC2)C1
InChIInChI=1S/C14H19N3O3/c1-9-6-12(17(18)19)8-15-14(9)16-11-4-5-20-13(7-11)10-2-3-10/h6,8,10-11,13H,2-5,7H2,1H3,(H,15,16)
InChIKeyMJNDITPUCFXXST-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.67
Rot. Bonds4

About N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine

N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine (PubChem CID 133473587) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
PubChem CID133473587
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCOC(C2CC2)C1
InChIInChI=1S/C14H19N3O3/c1-9-6-12(17(18)19)8-15-14(9)16-11-4-5-20-13(7-11)10-2-3-10/h6,8,10-11,13H,2-5,7H2,1H3,(H,15,16)
InChIKeyMJNDITPUCFXXST-UHFFFAOYSA-N
XLogP2.67
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
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'}

Analyze N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
N-(2-cyclopropyloxan-4-yl)-2-methyl-6-nitroquinolin-4-amine
CID 133473539
N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
3-methyl-N-[(2-methyloxolan-3-yl)methyl]-5-nitropyridin-2-amine
CID 114106325
N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
CID 133473708
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376408

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine (CID 133473587) is N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NC1CCOC(C2CC2)C1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine?
The InChIKey is MJNDITPUCFXXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-6-12(17(18)19)8-15-14(9)16-11-4-5-20-13(7-11)10-2-3-10/h6,8,10-11,13H,2-5,7H2,1H3,(H,15,16).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine?
N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine has a molecular weight of 277.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133473587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).