N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine

C18H23N5O3 — CID 70019722

IUPACN-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine
SMILESCCC(C)(Nc1ccc([N+](=O)[O-])cn1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H23N5O3/c1-3-18(2,21-16-6-5-15(13-19-16)23(24)25)14-4-7-17(20-12-14)22-8-10-26-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyDCJOPYAIBQZUHF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine

N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine (PubChem CID 70019722) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine
PubChem CID70019722
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine
SMILESCCC(C)(Nc1ccc([N+](=O)[O-])cn1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H23N5O3/c1-3-18(2,21-16-6-5-15(13-19-16)23(24)25)14-4-7-17(20-12-14)22-8-10-26-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyDCJOPYAIBQZUHF-UHFFFAOYSA-N
XLogP2.96
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine (CID 70019722) is N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine is CCC(C)(Nc1ccc([N+](=O)[O-])cn1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine?
The InChIKey is DCJOPYAIBQZUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-18(2,21-16-6-5-15(13-19-16)23(24)25)14-4-7-17(20-12-14)22-8-10-26-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine?
N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine has a molecular weight of 357.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-morpholin-4-yl-3-pyridinyl)butan-2-yl]-5-nitropyridin-2-amine is sourced from PubChem (CID 70019722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).