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

C23H25FN6O4 — CID 155513894

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCO)c1OC
InChIInChI=1S/C23H25FN6O4/c1-13-9-19(28-12-16(13)24)30-20-10-18(15(11-27-20)22(32)25-2)29-17-6-4-5-14(21(17)34-3)23(33)26-7-8-31/h4-6,9-12,31H,7-8H2,1-3H3,(H,25,32)(H,26,33)(H2,27,28,29,30)
InChIKeyYNBAXJJWAFMOPY-UHFFFAOYSA-N
MW468.49 g/mol
LogP2.50
Rot. Bonds9

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

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (PubChem CID 155513894) has the molecular formula C23H25FN6O4 and a molecular weight of 468.49 g/mol. Its IUPAC name is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
PubChem CID155513894
Molecular FormulaC23H25FN6O4
Molecular Weight468.49 g/mol
Exact Mass468.19
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCO)c1OC
InChIInChI=1S/C23H25FN6O4/c1-13-9-19(28-12-16(13)24)30-20-10-18(15(11-27-20)22(32)25-2)29-17-6-4-5-14(21(17)34-3)23(33)26-7-8-31/h4-6,9-12,31H,7-8H2,1-3H3,(H,25,32)(H,26,33)(H2,27,28,29,30)
InChIKeyYNBAXJJWAFMOPY-UHFFFAOYSA-N
XLogP2.50
TPSA137.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 52.50
H-Bond Donors ≤ 55
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-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (CID 155513894) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCO)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The InChIKey is YNBAXJJWAFMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O4/c1-13-9-19(28-12-16(13)24)30-20-10-18(15(11-27-20)22(32)25-2)29-17-6-4-5-14(21(17)34-3)23(33)26-7-8-31/h4-6,9-12,31H,7-8H2,1-3H3,(H,25,32)(H,26,33)(H2,27,28,29,30).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 2.50, 9 rotatable bonds, 5 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-[3-(2-hydroxyethylcarbamoyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155513894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).