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

C18H17N7O2 — CID 2948370

IUPACN-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccccn1
InChIInChI=1S/C18H17N7O2/c1-11-15(17(26)21-12-7-3-4-9-14(12)27-2)16(13-8-5-6-10-19-13)25-18(20-11)22-23-24-25/h3-10,16H,1-2H3,(H,21,26)(H,20,22,24)
InChIKeyIIAUDEACSYGECZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.00
Rot. Bonds4

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

N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2948370) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2948370
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccccn1
InChIInChI=1S/C18H17N7O2/c1-11-15(17(26)21-12-7-3-4-9-14(12)27-2)16(13-8-5-6-10-19-13)25-18(20-11)22-23-24-25/h3-10,16H,1-2H3,(H,21,26)(H,20,22,24)
InChIKeyIIAUDEACSYGECZ-UHFFFAOYSA-N
XLogP2.00
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2948370) is N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccccn1.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is IIAUDEACSYGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-11-15(17(26)21-12-7-3-4-9-14(12)27-2)16(13-8-5-6-10-19-13)25-18(20-11)22-23-24-25/h3-10,16H,1-2H3,(H,21,26)(H,20,22,24).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2948370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).