2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen

C18H24N4O — CID 176940060

IUPAC2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen
SMILESCCC1CC(C)N1C(=O)Nc1cc(-c2ccccn2)c(C)cn1.[H][H]
InChIInChI=1S/C18H22N4O.H2/c1-4-14-9-13(3)22(14)18(23)21-17-10-15(12(2)11-20-17)16-7-5-6-8-19-16;/h5-8,10-11,13-14H,4,9H2,1-3H3,(H,20,21,23);1H
InChIKeyZSTCBERJHWPQNM-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.10
Rot. Bonds3

About 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen

2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen (PubChem CID 176940060) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen
PubChem CID176940060
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen
SMILESCCC1CC(C)N1C(=O)Nc1cc(-c2ccccn2)c(C)cn1.[H][H]
InChIInChI=1S/C18H22N4O.H2/c1-4-14-9-13(3)22(14)18(23)21-17-10-15(12(2)11-20-17)16-7-5-6-8-19-16;/h5-8,10-11,13-14H,4,9H2,1-3H3,(H,20,21,23);1H
InChIKeyZSTCBERJHWPQNM-UHFFFAOYSA-N
XLogP4.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
(S)-6-(2-Amino-2-(3-(2-(4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659115
(R)-6-(3-Amino-2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)propyl)-4-Methylpyridin-2-Amine
CID 73659118
6(3Amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyridin3yl}propyl)4methylpyridin2amine (7)
CID 86767080
6-[(2s)-3-Amino-2-{5-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]pyridin-3-Yl}propyl]-4-Methylpyridin-2-Amine
CID 90656641
N1-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808031
4-Methyl-6-(2-(5-(1-Methylpiperidin-4-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057274
4-Methyl-6-(2-(5-(3-(Methylamino)propyl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119081688

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen?
The IUPAC name of 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen (CID 176940060) is 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen is CCC1CC(C)N1C(=O)Nc1cc(-c2ccccn2)c(C)cn1.[H][H].
What is the InChIKey of 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen?
The InChIKey is ZSTCBERJHWPQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.H2/c1-4-14-9-13(3)22(14)18(23)21-17-10-15(12(2)11-20-17)16-7-5-6-8-19-16;/h5-8,10-11,13-14H,4,9H2,1-3H3,(H,20,21,23);1H.
What are the key properties of 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen?
2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen has a molecular weight of 312.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 176940060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).