2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide

C13H16N6O3 — CID 146146504

IUPAC2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1
InChIInChI=1S/C13H16N6O3/c1-3-22-10-5-8(10)12(20)15-7-4-9(11-16-18-19-17-11)13(21-2)14-6-7/h4,6,8,10H,3,5H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeySOTAEODNBSHTJS-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.63
Rot. Bonds6

About 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide

2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 146146504) has the molecular formula C13H16N6O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID146146504
Molecular FormulaC13H16N6O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1
InChIInChI=1S/C13H16N6O3/c1-3-22-10-5-8(10)12(20)15-7-4-9(11-16-18-19-17-11)13(21-2)14-6-7/h4,6,8,10H,3,5H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeySOTAEODNBSHTJS-UHFFFAOYSA-N
XLogP0.63
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 146146504) is 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide is CCOC1CC1C(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1.
What is the InChIKey of 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is SOTAEODNBSHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3/c1-3-22-10-5-8(10)12(20)15-7-4-9(11-16-18-19-17-11)13(21-2)14-6-7/h4,6,8,10H,3,5H2,1-2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146146504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).