4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

C25H27FN6O3 — CID 155544232

IUPAC4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC
InChIInChI=1S/C25H27FN6O3/c1-14-9-21(29-13-18(14)26)32-22-10-20(17(12-28-22)24(33)27-2)31-19-6-4-5-16(23(19)35-3)25(34)30-11-15-7-8-15/h4-6,9-10,12-13,15H,7-8,11H2,1-3H3,(H,27,33)(H,30,34)(H2,28,29,31,32)
InChIKeyFXNUIYODKGAABX-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.92
Rot. Bonds9

About 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 155544232) has the molecular formula C25H27FN6O3 and a molecular weight of 478.53 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID155544232
Molecular FormulaC25H27FN6O3
Molecular Weight478.53 g/mol
Exact Mass478.21
IUPAC Name4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC
InChIInChI=1S/C25H27FN6O3/c1-14-9-21(29-13-18(14)26)32-22-10-20(17(12-28-22)24(33)27-2)31-19-6-4-5-16(23(19)35-3)25(34)30-11-15-7-8-15/h4-6,9-10,12-13,15H,7-8,11H2,1-3H3,(H,27,33)(H,30,34)(H2,28,29,31,32)
InChIKeyFXNUIYODKGAABX-UHFFFAOYSA-N
XLogP3.92
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 155544232) is 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC.
What is the InChIKey of 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is FXNUIYODKGAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3/c1-14-9-21(29-13-18(14)26)32-22-10-20(17(12-28-22)24(33)27-2)31-19-6-4-5-16(23(19)35-3)25(34)30-11-15-7-8-15/h4-6,9-10,12-13,15H,7-8,11H2,1-3H3,(H,27,33)(H,30,34)(H2,28,29,31,32).
What are the key properties of 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155544232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).