4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

C23H24FN5O2 — CID 58450651

IUPAC4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1ccc(F)cc1
InChIInChI=1S/C23H24FN5O2/c24-17-3-1-16(2-4-17)14-26-21-13-22(27-15-20(21)23(25)30)28-18-5-7-19(8-6-18)29-9-11-31-12-10-29/h1-8,13,15H,9-12,14H2,(H2,25,30)(H2,26,27,28)
InChIKeyQRVAOXJSRYMEHE-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.51
Rot. Bonds7

About 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 58450651) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID58450651
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1ccc(F)cc1
InChIInChI=1S/C23H24FN5O2/c24-17-3-1-16(2-4-17)14-26-21-13-22(27-15-20(21)23(25)30)28-18-5-7-19(8-6-18)29-9-11-31-12-10-29/h1-8,13,15H,9-12,14H2,(H2,25,30)(H2,26,27,28)
InChIKeyQRVAOXJSRYMEHE-UHFFFAOYSA-N
XLogP3.51
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218981
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
4-[[3-(methylsulfonylmethyl)phenyl]methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450705
6-(2-chloro-4-morpholin-4-ylanilino)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450660
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450483
4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 67423489
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
CID 58450697
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
6-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67422918

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 58450651) is 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is QRVAOXJSRYMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-17-3-1-16(2-4-17)14-26-21-13-22(27-15-20(21)23(25)30)28-18-5-7-19(8-6-18)29-9-11-31-12-10-29/h1-8,13,15H,9-12,14H2,(H2,25,30)(H2,26,27,28).
What are the key properties of 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 58450651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).