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

C24H25F2N5O3 — CID 67423489

IUPAC4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1OCNCc1cc(F)cc(F)c1
InChIInChI=1S/C24H25F2N5O3/c25-17-9-16(10-18(26)11-17)13-28-15-34-22-12-23(29-14-21(22)24(27)32)30-19-1-3-20(4-2-19)31-5-7-33-8-6-31/h1-4,9-12,14,28H,5-8,13,15H2,(H2,27,32)(H,29,30)
InChIKeyOVISORDGSLBWHG-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.16
Rot. Bonds9

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

4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 67423489) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID67423489
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1OCNCc1cc(F)cc(F)c1
InChIInChI=1S/C24H25F2N5O3/c25-17-9-16(10-18(26)11-17)13-28-15-34-22-12-23(29-14-21(22)24(27)32)30-19-1-3-20(4-2-19)31-5-7-33-8-6-31/h1-4,9-12,14,28H,5-8,13,15H2,(H2,27,32)(H,29,30)
InChIKeyOVISORDGSLBWHG-UHFFFAOYSA-N
XLogP3.16
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
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
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450483
4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 67423490
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
6-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67422918
4-[[3-(methylsulfonylmethyl)phenyl]methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450705
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propan-2-ylsulfanyl-1,4-diazepan-4-ium-1-yl)anilino]pyridine-3-carboxamide
CID 163860939
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 67423489) is 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1OCNCc1cc(F)cc(F)c1.
What is the InChIKey of 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is OVISORDGSLBWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c25-17-9-16(10-18(26)11-17)13-28-15-34-22-12-23(29-14-21(22)24(27)32)30-19-1-3-20(4-2-19)31-5-7-33-8-6-31/h1-4,9-12,14,28H,5-8,13,15H2,(H2,27,32)(H,29,30).
What are the key properties of 4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.16, 9 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]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67423489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).