2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C21H21N5O4 — CID 163864450

IUPAC2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)O)nc3)ccn2)ccn1
InChIInChI=1S/C21H21N5O4/c1-13-10-14(6-8-22-13)17-11-15(7-9-23-17)30-16-4-5-18(24-12-16)25-20(28)26-19(27)21(2,3)29/h4-12,29H,1-3H3,(H2,24,25,26,27,28)
InChIKeyPFKJVXSNFFXUGW-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.06
Rot. Bonds5

About 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 163864450) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID163864450
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)O)nc3)ccn2)ccn1
InChIInChI=1S/C21H21N5O4/c1-13-10-14(6-8-22-13)17-11-15(7-9-23-17)30-16-4-5-18(24-12-16)25-20(28)26-19(27)21(2,3)29/h4-12,29H,1-3H3,(H2,24,25,26,27,28)
InChIKeyPFKJVXSNFFXUGW-UHFFFAOYSA-N
XLogP3.06
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269282
2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86268065
4-[[6-[(2-methoxy-2-methylpropanoyl)carbamoylamino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
CID 86274425
N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 90403228
4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 86275147
N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269694
N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
CID 86275152
2-methyl-N-[[5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269489
N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 123605279
4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide
CID 86274672
2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 90403199
3-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 86268217

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 163864450) is 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is Cc1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)O)nc3)ccn2)ccn1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is PFKJVXSNFFXUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-13-10-14(6-8-22-13)17-11-15(7-9-23-17)30-16-4-5-18(24-12-16)25-20(28)26-19(27)21(2,3)29/h4-12,29H,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 407.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 163864450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).