N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C18H18N6O3 — CID 86269694

IUPACN-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cn(C)cn3)c2)cn1
InChIInChI=1S/C18H18N6O3/c1-3-17(25)23-18(26)22-16-5-4-13(9-20-16)27-12-6-7-19-14(8-12)15-10-24(2)11-21-15/h4-11H,3H2,1-2H3,(H2,20,22,23,25,26)
InChIKeyYUSGQAXWYNBVPF-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.73
Rot. Bonds5

About N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 86269694) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound NameN-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID86269694
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cn(C)cn3)c2)cn1
InChIInChI=1S/C18H18N6O3/c1-3-17(25)23-18(26)22-16-5-4-13(9-20-16)27-12-6-7-19-14(8-12)15-10-24(2)11-21-15/h4-11H,3H2,1-2H3,(H2,20,22,23,25,26)
InChIKeyYUSGQAXWYNBVPF-UHFFFAOYSA-N
XLogP2.73
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 86269649
N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 90403228
5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 90403299
2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86268065
2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269282
2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 163864450
2-methyl-N-[[5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269489
N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
CID 86275152
4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide
CID 86274672
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
CID 86272520
3-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 86268217
N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 166780519

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 86269694) is N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is CCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cn(C)cn3)c2)cn1.
What is the InChIKey of N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is YUSGQAXWYNBVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-3-17(25)23-18(26)22-16-5-4-13(9-20-16)27-12-6-7-19-14(8-12)15-10-24(2)11-21-15/h4-11H,3H2,1-2H3,(H2,20,22,23,25,26).
What are the key properties of N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 366.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 86269694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).