3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide

C28H28N6O4 — CID 146421071

IUPAC3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(OCc3ccccc3)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C28H28N6O4/c1-19-24(38-22-11-13-29-23(15-22)21-16-30-33(3)17-21)9-10-25(31-19)32-27(36)34-14-12-28(2,26(34)35)37-18-20-7-5-4-6-8-20/h4-11,13,15-17H,12,14,18H2,1-3H3,(H,31,32,36)
InChIKeyZHQKDTJCPKIQKW-UHFFFAOYSA-N
MW512.57 g/mol
LogP4.72
Rot. Bonds7

About 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide

3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide (PubChem CID 146421071) has the molecular formula C28H28N6O4 and a molecular weight of 512.57 g/mol. Its IUPAC name is 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide
PubChem CID146421071
Molecular FormulaC28H28N6O4
Molecular Weight512.57 g/mol
Exact Mass512.22
IUPAC Name3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(OCc3ccccc3)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C28H28N6O4/c1-19-24(38-22-11-13-29-23(15-22)21-16-30-33(3)17-21)9-10-25(31-19)32-27(36)34-14-12-28(2,26(34)35)37-18-20-7-5-4-6-8-20/h4-11,13,15-17H,12,14,18H2,1-3H3,(H,31,32,36)
InChIKeyZHQKDTJCPKIQKW-UHFFFAOYSA-N
XLogP4.72
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide (CID 146421071) is 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(C)(OCc3ccccc3)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide?
The InChIKey is ZHQKDTJCPKIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O4/c1-19-24(38-22-11-13-29-23(15-22)21-16-30-33(3)17-21)9-10-25(31-19)32-27(36)34-14-12-28(2,26(34)35)37-18-20-7-5-4-6-8-20/h4-11,13,15-17H,12,14,18H2,1-3H3,(H,31,32,36).
What are the key properties of 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide?
3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-3-phenylmethoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 146421071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).