4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide

C23H28N8O3 — CID 160842607

IUPAC4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C(C)C)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C23H28N8O3/c1-14(2)30-9-10-31(23(30)33)19-11-18(16(12-25-19)22(32)24-3)27-17-8-6-7-15(20(17)34-5)21-26-13-29(4)28-21/h6-8,11-14H,9-10H2,1-5H3,(H,24,32)(H,25,27)
InChIKeySIFNFWXLARFFJO-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.64
Rot. Bonds7

About 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide (PubChem CID 160842607) has the molecular formula C23H28N8O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide
PubChem CID160842607
Molecular FormulaC23H28N8O3
Molecular Weight464.53 g/mol
Exact Mass464.23
IUPAC Name4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C(C)C)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C23H28N8O3/c1-14(2)30-9-10-31(23(30)33)19-11-18(16(12-25-19)22(32)24-3)27-17-8-6-7-15(20(17)34-5)21-26-13-29(4)28-21/h6-8,11-14H,9-10H2,1-5H3,(H,24,32)(H,25,27)
InChIKeySIFNFWXLARFFJO-UHFFFAOYSA-N
XLogP2.64
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide (CID 160842607) is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(C(C)C)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is SIFNFWXLARFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3/c1-14(2)30-9-10-31(23(30)33)19-11-18(16(12-25-19)22(32)24-3)27-17-8-6-7-15(20(17)34-5)21-26-13-29(4)28-21/h6-8,11-14H,9-10H2,1-5H3,(H,24,32)(H,25,27).
What are the key properties of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide?
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 160842607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).