1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide

C15H19N5O2 — CID 166327356

IUPAC1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCCOCC1(C(=O)NCc2cn(-c3ccncc3)nn2)CC1
InChIInChI=1S/C15H19N5O2/c1-2-22-11-15(5-6-15)14(21)17-9-12-10-20(19-18-12)13-3-7-16-8-4-13/h3-4,7-8,10H,2,5-6,9,11H2,1H3,(H,17,21)
InChIKeyCYVSZHXIZAQAMZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.10
Rot. Bonds7

About 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide

1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 166327356) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID166327356
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCCOCC1(C(=O)NCc2cn(-c3ccncc3)nn2)CC1
InChIInChI=1S/C15H19N5O2/c1-2-22-11-15(5-6-15)14(21)17-9-12-10-20(19-18-12)13-3-7-16-8-4-13/h3-4,7-8,10H,2,5-6,9,11H2,1H3,(H,17,21)
InChIKeyCYVSZHXIZAQAMZ-UHFFFAOYSA-N
XLogP1.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide
CID 121195905
3-phenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]butanamide
CID 121196031
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195791
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide
CID 121195903
4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 121196000

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 166327356) is 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide is CCOCC1(C(=O)NCc2cn(-c3ccncc3)nn2)CC1.
What is the InChIKey of 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CYVSZHXIZAQAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-22-11-15(5-6-15)14(21)17-9-12-10-20(19-18-12)13-3-7-16-8-4-13/h3-4,7-8,10H,2,5-6,9,11H2,1H3,(H,17,21).
What are the key properties of 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide?
1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166327356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).