6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide

C19H24FN5O — CID 67509421

IUPAC6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
SMILESCCCN(c1nc(Nc2ccc(C)cc2)c(C(N)=O)cc1F)C1(N)CC1
InChIInChI=1S/C19H24FN5O/c1-3-10-25(19(22)8-9-19)18-15(20)11-14(16(21)26)17(24-18)23-13-6-4-12(2)5-7-13/h4-7,11H,3,8-10,22H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyQZOVNGXDBXQRLX-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.04
Rot. Bonds7

About 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide

6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 67509421) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
PubChem CID67509421
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
SMILESCCCN(c1nc(Nc2ccc(C)cc2)c(C(N)=O)cc1F)C1(N)CC1
InChIInChI=1S/C19H24FN5O/c1-3-10-25(19(22)8-9-19)18-15(20)11-14(16(21)26)17(24-18)23-13-6-4-12(2)5-7-13/h4-7,11H,3,8-10,22H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyQZOVNGXDBXQRLX-UHFFFAOYSA-N
XLogP3.04
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide (CID 67509421) is 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide is CCCN(c1nc(Nc2ccc(C)cc2)c(C(N)=O)cc1F)C1(N)CC1.
What is the InChIKey of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is QZOVNGXDBXQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-3-10-25(19(22)8-9-19)18-15(20)11-14(16(21)26)17(24-18)23-13-6-4-12(2)5-7-13/h4-7,11H,3,8-10,22H2,1-2H3,(H2,21,26)(H,23,24).
What are the key properties of 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67509421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).