6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide

C23H24FN7O2 — CID 155148594

IUPAC6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(C(=O)N/N=C/N(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H24FN7O2/c1-14-9-17(24)16(10-20(14)31-11-19(25-12-31)15-7-8-15)22(32)28-21-6-4-5-18(27-21)23(33)29-26-13-30(2)3/h4-6,9-13,15H,7-8H2,1-3H3,(H,29,33)(H,27,28,32)/b26-13+
InChIKeyIXCXDZLIBNWQFZ-LGJNPRDNSA-N
MW449.49 g/mol
LogP3.08
Rot. Bonds7

About 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide

6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide (PubChem CID 155148594) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
PubChem CID155148594
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(C(=O)N/N=C/N(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H24FN7O2/c1-14-9-17(24)16(10-20(14)31-11-19(25-12-31)15-7-8-15)22(32)28-21-6-4-5-18(27-21)23(33)29-26-13-30(2)3/h4-6,9-13,15H,7-8H2,1-3H3,(H,29,33)(H,27,28,32)/b26-13+
InChIKeyIXCXDZLIBNWQFZ-LGJNPRDNSA-N
XLogP3.08
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
The IUPAC name of 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide (CID 155148594) is 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide is Cc1cc(F)c(C(=O)Nc2cccc(C(=O)N/N=C/N(C)C)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
The InChIKey is IXCXDZLIBNWQFZ-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-14-9-17(24)16(10-20(14)31-11-19(25-12-31)15-7-8-15)22(32)28-21-6-4-5-18(27-21)23(33)29-26-13-30(2)3/h4-6,9-13,15H,7-8H2,1-3H3,(H,29,33)(H,27,28,32)/b26-13+.
What are the key properties of 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 155148594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).