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

C27H26FN7O3 — CID 138756256

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCc2ccccn2)c1OC
InChIInChI=1S/C27H26FN7O3/c1-16-11-23(32-15-20(16)28)35-24-12-22(19(14-31-24)26(36)29-2)34-21-9-6-8-18(25(21)38-3)27(37)33-13-17-7-4-5-10-30-17/h4-12,14-15H,13H2,1-3H3,(H,29,36)(H,33,37)(H2,31,32,34,35)
InChIKeyOXIRLLVPYPWPEK-UHFFFAOYSA-N
MW515.55 g/mol
LogP4.10
Rot. Bonds9

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

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 138756256) has the molecular formula C27H26FN7O3 and a molecular weight of 515.55 g/mol. Its IUPAC name is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
PubChem CID138756256
Molecular FormulaC27H26FN7O3
Molecular Weight515.55 g/mol
Exact Mass515.21
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCc2ccccn2)c1OC
InChIInChI=1S/C27H26FN7O3/c1-16-11-23(32-15-20(16)28)35-24-12-22(19(14-31-24)26(36)29-2)34-21-9-6-8-18(25(21)38-3)27(37)33-13-17-7-4-5-10-30-17/h4-12,14-15H,13H2,1-3H3,(H,29,36)(H,33,37)(H2,31,32,34,35)
InChIKeyOXIRLLVPYPWPEK-UHFFFAOYSA-N
XLogP4.10
TPSA130.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide (CID 138756256) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCc2ccccn2)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is OXIRLLVPYPWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O3/c1-16-11-23(32-15-20(16)28)35-24-12-22(19(14-31-24)26(36)29-2)34-21-9-6-8-18(25(21)38-3)27(37)33-13-17-7-4-5-10-30-17/h4-12,14-15H,13H2,1-3H3,(H,29,36)(H,33,37)(H2,31,32,34,35).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 4.10, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(pyridin-2-ylmethylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 138756256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).