2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide

C20H17N7O — CID 131889333

IUPAC2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-n3nnnc3C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H17N7O/c1-13-21-12-18(19(22-13)15-7-4-3-5-8-15)20(28)23-16-9-6-10-17(11-16)27-14(2)24-25-26-27/h3-12H,1-2H3,(H,23,28)
InChIKeyZGPGHZQGJBUSIU-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 131889333) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID131889333
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-n3nnnc3C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H17N7O/c1-13-21-12-18(19(22-13)15-7-4-3-5-8-15)20(28)23-16-9-6-10-17(11-16)27-14(2)24-25-26-27/h3-12H,1-2H3,(H,23,28)
InChIKeyZGPGHZQGJBUSIU-UHFFFAOYSA-N
XLogP2.99
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131907566
1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55677068
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]quinoline-4-carboxamide
CID 46468871
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152
2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide
CID 55882840
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide (CID 131889333) is 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2cccc(-n3nnnc3C)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is ZGPGHZQGJBUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-13-21-12-18(19(22-13)15-7-4-3-5-8-15)20(28)23-16-9-6-10-17(11-16)27-14(2)24-25-26-27/h3-12H,1-2H3,(H,23,28).
What are the key properties of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 131889333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).