4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

C24H25F2N5O3 — CID 67423490

IUPAC4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCOc1nc(Nc2ccc(N3CCOCC3)cc2)cc(NCc2cc(F)cc(F)c2)c1C(N)=O
InChIInChI=1S/C24H25F2N5O3/c1-33-24-22(23(27)32)20(28-14-15-10-16(25)12-17(26)11-15)13-21(30-24)29-18-2-4-19(5-3-18)31-6-8-34-9-7-31/h2-5,10-13H,6-9,14H2,1H3,(H2,27,32)(H2,28,29,30)
InChIKeyUPSGCRACDZGXIE-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.66
Rot. Bonds8

About 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 67423490) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID67423490
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCOc1nc(Nc2ccc(N3CCOCC3)cc2)cc(NCc2cc(F)cc(F)c2)c1C(N)=O
InChIInChI=1S/C24H25F2N5O3/c1-33-24-22(23(27)32)20(28-14-15-10-16(25)12-17(26)11-15)13-21(30-24)29-18-2-4-19(5-3-18)31-6-8-34-9-7-31/h2-5,10-13H,6-9,14H2,1H3,(H2,27,32)(H2,28,29,30)
InChIKeyUPSGCRACDZGXIE-UHFFFAOYSA-N
XLogP3.66
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 67423489
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218981
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450483
6-(2-chloro-4-morpholin-4-ylanilino)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450660
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
6-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67422918
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propan-2-ylsulfanyl-1,4-diazepan-4-ium-1-yl)anilino]pyridine-3-carboxamide
CID 163860939
2-[6-[4-[4-(2-chloroethyl)piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
CID 131730971
4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide
CID 58450654
4-[[3-(methylsulfonylmethyl)phenyl]methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450705

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 67423490) is 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is COc1nc(Nc2ccc(N3CCOCC3)cc2)cc(NCc2cc(F)cc(F)c2)c1C(N)=O.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is UPSGCRACDZGXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-33-24-22(23(27)32)20(28-14-15-10-16(25)12-17(26)11-15)13-21(30-24)29-18-2-4-19(5-3-18)31-6-8-34-9-7-31/h2-5,10-13H,6-9,14H2,1H3,(H2,27,32)(H2,28,29,30).
What are the key properties of 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67423490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).