2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide

C23H26FN7O — CID 140606762

IUPAC2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cnc(Nc2ccccc2)c(NC2CCCCC2N)c1F
InChIInChI=1S/C23H26FN7O/c24-19-18(31-22-15(21(26)32)9-6-12-27-22)13-28-23(29-14-7-2-1-3-8-14)20(19)30-17-11-5-4-10-16(17)25/h1-3,6-9,12-13,16-17,30H,4-5,10-11,25H2,(H2,26,32)(H,27,31)(H,28,29)
InChIKeyYWWPPYKPEOOVFM-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.88
Rot. Bonds7

About 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide

2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 140606762) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID140606762
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cnc(Nc2ccccc2)c(NC2CCCCC2N)c1F
InChIInChI=1S/C23H26FN7O/c24-19-18(31-22-15(21(26)32)9-6-12-27-22)13-28-23(29-14-7-2-1-3-8-14)20(19)30-17-11-5-4-10-16(17)25/h1-3,6-9,12-13,16-17,30H,4-5,10-11,25H2,(H2,26,32)(H,27,31)(H,28,29)
InChIKeyYWWPPYKPEOOVFM-UHFFFAOYSA-N
XLogP3.88
TPSA130.98 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide (CID 140606762) is 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide is NC(=O)c1cccnc1Nc1cnc(Nc2ccccc2)c(NC2CCCCC2N)c1F.
What is the InChIKey of 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is YWWPPYKPEOOVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c24-19-18(31-22-15(21(26)32)9-6-12-27-22)13-28-23(29-14-7-2-1-3-8-14)20(19)30-17-11-5-4-10-16(17)25/h1-3,6-9,12-13,16-17,30H,4-5,10-11,25H2,(H2,26,32)(H,27,31)(H,28,29).
What are the key properties of 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide?
2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 140606762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).