6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide

C21H19F2N5O2 — CID 174998817

IUPAC6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C21H19F2N5O2/c22-15-2-1-3-16(23)20(15)18-10-17(14(12-25-18)21(24)29)27-19-5-4-13(11-26-19)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,24,29)(H,25,26,27)
InChIKeyKYEQVRBDFYMTRD-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.10
Rot. Bonds5

About 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide

6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 174998817) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID174998817
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Name6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C21H19F2N5O2/c22-15-2-1-3-16(23)20(15)18-10-17(14(12-25-18)21(24)29)27-19-5-4-13(11-26-19)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,24,29)(H,25,26,27)
InChIKeyKYEQVRBDFYMTRD-UHFFFAOYSA-N
XLogP3.10
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide (CID 174998817) is 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide is NC(=O)c1cnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is KYEQVRBDFYMTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c22-15-2-1-3-16(23)20(15)18-10-17(14(12-25-18)21(24)29)27-19-5-4-13(11-26-19)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,24,29)(H,25,26,27).
What are the key properties of 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 174998817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).