4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide

C22H26N6O — CID 50917079

IUPAC4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide
SMILESCn1cc(-c2ccc(Nc3ccc(C(N)=O)cc3)nc2NC2CCCCC2)cn1
InChIInChI=1S/C22H26N6O/c1-28-14-16(13-24-28)19-11-12-20(25-18-9-7-15(8-10-18)21(23)29)27-22(19)26-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H2,23,29)(H2,25,26,27)
InChIKeyPWTLADBUQJDLBZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.07
Rot. Bonds6

About 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide

4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide (PubChem CID 50917079) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide
PubChem CID50917079
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide
SMILESCn1cc(-c2ccc(Nc3ccc(C(N)=O)cc3)nc2NC2CCCCC2)cn1
InChIInChI=1S/C22H26N6O/c1-28-14-16(13-24-28)19-11-12-20(25-18-9-7-15(8-10-18)21(23)29)27-22(19)26-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H2,23,29)(H2,25,26,27)
InChIKeyPWTLADBUQJDLBZ-UHFFFAOYSA-N
XLogP4.07
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide?
The IUPAC name of 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide (CID 50917079) is 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide?
The canonical SMILES for 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide is Cn1cc(-c2ccc(Nc3ccc(C(N)=O)cc3)nc2NC2CCCCC2)cn1.
What is the InChIKey of 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide?
The InChIKey is PWTLADBUQJDLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-28-14-16(13-24-28)19-11-12-20(25-18-9-7-15(8-10-18)21(23)29)27-22(19)26-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H2,23,29)(H2,25,26,27).
What are the key properties of 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide?
4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclohexylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 50917079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).