6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide

C23H25N9O2 — CID 75201720

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C23H25N9O2/c1-13-9-20(28-14(2)27-13)30-19-10-18(16(11-25-19)23(33)24-3)29-17-8-6-7-15(21(17)34-5)22-26-12-32(4)31-22/h6-12H,1-5H3,(H,24,33)(H2,25,27,28,29,30)
InChIKeyNDUJTDBPWASLNG-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.14
Rot. Bonds7

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide

6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 75201720) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
PubChem CID75201720
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C23H25N9O2/c1-13-9-20(28-14(2)27-13)30-19-10-18(16(11-25-19)23(33)24-3)29-17-8-6-7-15(21(17)34-5)22-26-12-32(4)31-22/h6-12H,1-5H3,(H,24,33)(H2,25,27,28,29,30)
InChIKeyNDUJTDBPWASLNG-UHFFFAOYSA-N
XLogP3.14
TPSA131.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (CID 75201720) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is NDUJTDBPWASLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-13-9-20(28-14(2)27-13)30-19-10-18(16(11-25-19)23(33)24-3)29-17-8-6-7-15(21(17)34-5)22-26-12-32(4)31-22/h6-12H,1-5H3,(H,24,33)(H2,25,27,28,29,30).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 75201720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).