2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine

C19H23N5O4 — CID 121451931

IUPAC2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine
SMILESCOc1cc(Nc2ccc(N3CC(N4CCOCC4)C3)cc2)c([N+](=O)[O-])cn1
InChIInChI=1S/C19H23N5O4/c1-27-19-10-17(18(11-20-19)24(25)26)21-14-2-4-15(5-3-14)23-12-16(13-23)22-6-8-28-9-7-22/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,20,21)
InChIKeyFTCTZXIJCJXJRW-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine

2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine (PubChem CID 121451931) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine
PubChem CID121451931
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine
SMILESCOc1cc(Nc2ccc(N3CC(N4CCOCC4)C3)cc2)c([N+](=O)[O-])cn1
InChIInChI=1S/C19H23N5O4/c1-27-19-10-17(18(11-20-19)24(25)26)21-14-2-4-15(5-3-14)23-12-16(13-23)22-6-8-28-9-7-22/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,20,21)
InChIKeyFTCTZXIJCJXJRW-UHFFFAOYSA-N
XLogP2.26
TPSA93.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-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 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine?
The IUPAC name of 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine (CID 121451931) is 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine.
What is the SMILES notation for 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine?
The canonical SMILES for 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine is COc1cc(Nc2ccc(N3CC(N4CCOCC4)C3)cc2)c([N+](=O)[O-])cn1.
What is the InChIKey of 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine?
The InChIKey is FTCTZXIJCJXJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-27-19-10-17(18(11-20-19)24(25)26)21-14-2-4-15(5-3-14)23-12-16(13-23)22-6-8-28-9-7-22/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,20,21).
What are the key properties of 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine?
2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine has a molecular weight of 385.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-nitropyridin-4-amine is sourced from PubChem (CID 121451931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).