4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

C23H23ClFN5O2 — CID 58450622

IUPAC4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cc(F)ccc1Cl
InChIInChI=1S/C23H23ClFN5O2/c24-20-6-1-16(25)11-15(20)13-27-21-12-22(28-14-19(21)23(26)31)29-17-2-4-18(5-3-17)30-7-9-32-10-8-30/h1-6,11-12,14H,7-10,13H2,(H2,26,31)(H2,27,28,29)
InChIKeyLCTFDNVXVVZOID-UHFFFAOYSA-N
MW455.92 g/mol
LogP4.17
Rot. Bonds7

About 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 58450622) has the molecular formula C23H23ClFN5O2 and a molecular weight of 455.92 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID58450622
Molecular FormulaC23H23ClFN5O2
Molecular Weight455.92 g/mol
Exact Mass455.15
IUPAC Name4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cc(F)ccc1Cl
InChIInChI=1S/C23H23ClFN5O2/c24-20-6-1-16(25)11-15(20)13-27-21-12-22(28-14-19(21)23(26)31)29-17-2-4-18(5-3-17)30-7-9-32-10-8-30/h1-6,11-12,14H,7-10,13H2,(H2,26,31)(H2,27,28,29)
InChIKeyLCTFDNVXVVZOID-UHFFFAOYSA-N
XLogP4.17
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 58450622) is 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cc(F)ccc1Cl.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is LCTFDNVXVVZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O2/c24-20-6-1-16(25)11-15(20)13-27-21-12-22(28-14-19(21)23(26)31)29-17-2-4-18(5-3-17)30-7-9-32-10-8-30/h1-6,11-12,14H,7-10,13H2,(H2,26,31)(H2,27,28,29).
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 455.92 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 58450622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).