7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C19H19N7O3 — CID 3238841

IUPAC7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nnnn32)c1OC
InChIInChI=1S/C19H19N7O3/c1-11-15(18(27)22-12-6-5-9-20-10-12)16(26-19(21-11)23-24-25-26)13-7-4-8-14(28-2)17(13)29-3/h4-10,16H,1-3H3,(H,22,27)(H,21,23,25)
InChIKeyMIIGSQXKJRXBEY-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.01
Rot. Bonds5

About 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3238841) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3238841
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nnnn32)c1OC
InChIInChI=1S/C19H19N7O3/c1-11-15(18(27)22-12-6-5-9-20-10-12)16(26-19(21-11)23-24-25-26)13-7-4-8-14(28-2)17(13)29-3/h4-10,16H,1-3H3,(H,22,27)(H,21,23,25)
InChIKeyMIIGSQXKJRXBEY-UHFFFAOYSA-N
XLogP2.01
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3238841) is 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nnnn32)c1OC.
What is the InChIKey of 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MIIGSQXKJRXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-11-15(18(27)22-12-6-5-9-20-10-12)16(26-19(21-11)23-24-25-26)13-7-4-8-14(28-2)17(13)29-3/h4-10,16H,1-3H3,(H,22,27)(H,21,23,25).
What are the key properties of 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3238841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).