6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide

C23H22FN7O3 — CID 90153737

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC
InChIInChI=1S/C23H22FN7O3/c1-12-8-19(27-11-16(12)24)29-20-9-18(15(10-26-20)22(32)25-3)28-17-7-5-6-14(21(17)33-4)23-31-30-13(2)34-23/h5-11H,1-4H3,(H,25,32)(H2,26,27,28,29)
InChIKeyIEGZNNZXOAPGCX-UHFFFAOYSA-N
MW463.47 g/mol
LogP4.14
Rot. Bonds7

About 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 90153737) has the molecular formula C23H22FN7O3 and a molecular weight of 463.47 g/mol. Its IUPAC name is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide
PubChem CID90153737
Molecular FormulaC23H22FN7O3
Molecular Weight463.47 g/mol
Exact Mass463.18
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC
InChIInChI=1S/C23H22FN7O3/c1-12-8-19(27-11-16(12)24)29-20-9-18(15(10-26-20)22(32)25-3)28-17-7-5-6-14(21(17)33-4)23-31-30-13(2)34-23/h5-11H,1-4H3,(H,25,32)(H2,26,27,28,29)
InChIKeyIEGZNNZXOAPGCX-UHFFFAOYSA-N
XLogP4.14
TPSA127.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide (CID 90153737) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is IEGZNNZXOAPGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O3/c1-12-8-19(27-11-16(12)24)29-20-9-18(15(10-26-20)22(32)25-3)28-17-7-5-6-14(21(17)33-4)23-31-30-13(2)34-23/h5-11H,1-4H3,(H,25,32)(H2,26,27,28,29).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90153737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).