4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide

C20H24N6O4 — CID 90425907

IUPAC4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)N3CCN(C(C)(C)C)C3=O)nc2)ccn1
InChIInChI=1S/C20H24N6O4/c1-20(2,3)26-10-9-25(19(26)29)18(28)24-16-6-5-14(12-23-16)30-13-7-8-22-15(11-13)17(27)21-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,27)(H,23,24,28)
InChIKeyRUOYMBZKKMTSLG-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.70
Rot. Bonds4

About 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide

4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 90425907) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID90425907
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)N3CCN(C(C)(C)C)C3=O)nc2)ccn1
InChIInChI=1S/C20H24N6O4/c1-20(2,3)26-10-9-25(19(26)29)18(28)24-16-6-5-14(12-23-16)30-13-7-8-22-15(11-13)17(27)21-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,27)(H,23,24,28)
InChIKeyRUOYMBZKKMTSLG-UHFFFAOYSA-N
XLogP2.70
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide (CID 90425907) is 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCN(C(C)(C)C)C3=O)nc2)ccn1.
What is the InChIKey of 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is RUOYMBZKKMTSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-20(2,3)26-10-9-25(19(26)29)18(28)24-16-6-5-14(12-23-16)30-13-7-8-22-15(11-13)17(27)21-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,27)(H,23,24,28).
What are the key properties of 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(3-tert-butyl-2-oxoimidazolidine-1-carbonyl)amino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 90425907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).