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'}

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Related Compounds

2-N-(4-morpholin-4-ylphenyl)-5-nitro-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 70648277
4-[(3S,4R)-1-(3-methoxy-4-nitrophenyl)-4-methylpyrrolidin-3-yl]morpholine
CID 125131031
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
CID 158570473
4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid
CID 121451957
N-(4-morpholin-4-ylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4789989
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine
CID 178077999
4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine
CID 138583780
(3S)-N-[(2-methoxy-4-pyridinyl)methyl]-1-(6-nitro-3-pyridinyl)piperidin-3-amine
CID 169153327
4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 165402850
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117088664
N-(3-methoxy-4-nitrophenyl)morpholin-4-amine
CID 83026270

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).