4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide

C26H27F2N5O — CID 67509104

IUPAC4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCC(F)(F)CC3)cc2)cc1N(c1ccccc1)C1CC1
InChIInChI=1S/C26H27F2N5O/c27-26(28)12-14-32(15-13-26)19-8-6-18(7-9-19)31-24-16-23(22(17-30-24)25(29)34)33(21-10-11-21)20-4-2-1-3-5-20/h1-9,16-17,21H,10-15H2,(H2,29,34)(H,30,31)
InChIKeyNTIVMHVDPLUEPN-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.46
Rot. Bonds7

About 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide

4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide (PubChem CID 67509104) has the molecular formula C26H27F2N5O and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide
PubChem CID67509104
Molecular FormulaC26H27F2N5O
Molecular Weight463.53 g/mol
Exact Mass463.22
IUPAC Name4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCC(F)(F)CC3)cc2)cc1N(c1ccccc1)C1CC1
InChIInChI=1S/C26H27F2N5O/c27-26(28)12-14-32(15-13-26)19-8-6-18(7-9-19)31-24-16-23(22(17-30-24)25(29)34)33(21-10-11-21)20-4-2-1-3-5-20/h1-9,16-17,21H,10-15H2,(H2,29,34)(H,30,31)
InChIKeyNTIVMHVDPLUEPN-UHFFFAOYSA-N
XLogP5.46
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide (CID 67509104) is 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCC(F)(F)CC3)cc2)cc1N(c1ccccc1)C1CC1.
What is the InChIKey of 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide?
The InChIKey is NTIVMHVDPLUEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O/c27-26(28)12-14-32(15-13-26)19-8-6-18(7-9-19)31-24-16-23(22(17-30-24)25(29)34)33(21-10-11-21)20-4-2-1-3-5-20/h1-9,16-17,21H,10-15H2,(H2,29,34)(H,30,31).
What are the key properties of 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide?
4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67509104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).