N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide

C19H20N6O2 — CID 51130312

IUPACN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C19H20N6O2/c26-17(12-25-23-19(22-24-25)16-4-2-1-3-5-16)20-10-15-8-9-18(21-11-15)27-13-14-6-7-14/h1-5,8-9,11,14H,6-7,10,12-13H2,(H,20,26)
InChIKeyHPYGAXXLUGWVHS-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.84
Rot. Bonds8

About N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 51130312) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID51130312
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C19H20N6O2/c26-17(12-25-23-19(22-24-25)16-4-2-1-3-5-16)20-10-15-8-9-18(21-11-15)27-13-14-6-7-14/h1-5,8-9,11,14H,6-7,10,12-13H2,(H,20,26)
InChIKeyHPYGAXXLUGWVHS-UHFFFAOYSA-N
XLogP1.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025154
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51102664
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430830
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-benzyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 866054
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119513221

Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 51130312) is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(OCC2CC2)nc1.
What is the InChIKey of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is HPYGAXXLUGWVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-17(12-25-23-19(22-24-25)16-4-2-1-3-5-16)20-10-15-8-9-18(21-11-15)27-13-14-6-7-14/h1-5,8-9,11,14H,6-7,10,12-13H2,(H,20,26).
What are the key properties of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 51130312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).