6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide

C27H32FN7O4 — CID 155565520

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCN2CCOCC2)c1OC
InChIInChI=1S/C27H32FN7O4/c1-17-13-23(32-16-20(17)28)34-24-14-22(19(15-31-24)26(36)29-2)33-21-6-4-5-18(25(21)38-3)27(37)30-7-8-35-9-11-39-12-10-35/h4-6,13-16H,7-12H2,1-3H3,(H,29,36)(H,30,37)(H2,31,32,33,34)
InChIKeyXABXBAWXKDATQI-UHFFFAOYSA-N
MW537.60 g/mol
LogP2.84
Rot. Bonds10

About 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 155565520) has the molecular formula C27H32FN7O4 and a molecular weight of 537.60 g/mol. Its IUPAC name is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
PubChem CID155565520
Molecular FormulaC27H32FN7O4
Molecular Weight537.60 g/mol
Exact Mass537.25
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCN2CCOCC2)c1OC
InChIInChI=1S/C27H32FN7O4/c1-17-13-23(32-16-20(17)28)34-24-14-22(19(15-31-24)26(36)29-2)33-21-6-4-5-18(25(21)38-3)27(37)30-7-8-35-9-11-39-12-10-35/h4-6,13-16H,7-12H2,1-3H3,(H,29,36)(H,30,37)(H2,31,32,33,34)
InChIKeyXABXBAWXKDATQI-UHFFFAOYSA-N
XLogP2.84
TPSA129.74 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.60
LogP ≤ 52.84
H-Bond Donors ≤ 54
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-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide (CID 155565520) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCN2CCOCC2)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is XABXBAWXKDATQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O4/c1-17-13-23(32-16-20(17)28)34-24-14-22(19(15-31-24)26(36)29-2)33-21-6-4-5-18(25(21)38-3)27(37)30-7-8-35-9-11-39-12-10-35/h4-6,13-16H,7-12H2,1-3H3,(H,29,36)(H,30,37)(H2,31,32,33,34).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 537.60 g/mol, XLogP of 2.84, 10 rotatable bonds, 4 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-(2-morpholin-4-ylethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155565520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).