4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide

C26H22F2N6O2 — CID 169024585

IUPAC4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)cnc3C)ccn2)ccn1
InChIInChI=1S/C26H22F2N6O2/c1-15-20(16-4-7-30-21(10-16)17-5-8-31-22(11-17)25(36)29-3)13-19(14-33-15)34-24(35)18-6-9-32-23(12-18)26(2,27)28/h4-14H,1-3H3,(H,29,36)(H,34,35)
InChIKeyBCUFMYOXQMRXOB-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.63
Rot. Bonds6

About 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide

4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 169024585) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID169024585
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)cnc3C)ccn2)ccn1
InChIInChI=1S/C26H22F2N6O2/c1-15-20(16-4-7-30-21(10-16)17-5-8-31-22(11-17)25(36)29-3)13-19(14-33-15)34-24(35)18-6-9-32-23(12-18)26(2,27)28/h4-14H,1-3H3,(H,29,36)(H,34,35)
InChIKeyBCUFMYOXQMRXOB-UHFFFAOYSA-N
XLogP4.63
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (CID 169024585) is 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)cnc3C)ccn2)ccn1.
What is the InChIKey of 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is BCUFMYOXQMRXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-15-20(16-4-7-30-21(10-16)17-5-8-31-22(11-17)25(36)29-3)13-19(14-33-15)34-24(35)18-6-9-32-23(12-18)26(2,27)28/h4-14H,1-3H3,(H,29,36)(H,34,35).
What are the key properties of 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169024585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).