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

C16H14N8O — CID 3237280

IUPAC5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccncc2)n2nnnc2N1
InChIInChI=1S/C16H14N8O/c1-10-13(15(25)20-12-3-2-6-18-9-12)14(11-4-7-17-8-5-11)24-16(19-10)21-22-23-24/h2-9,14H,1H3,(H,20,25)(H,19,21,23)
InChIKeyMVDHIDVDMAXJRY-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.39
Rot. Bonds3

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

5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3237280) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3237280
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccncc2)n2nnnc2N1
InChIInChI=1S/C16H14N8O/c1-10-13(15(25)20-12-3-2-6-18-9-12)14(11-4-7-17-8-5-11)24-16(19-10)21-22-23-24/h2-9,14H,1H3,(H,20,25)(H,19,21,23)
InChIKeyMVDHIDVDMAXJRY-UHFFFAOYSA-N
XLogP1.39
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3237280) is 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2ccncc2)n2nnnc2N1.
What is the InChIKey of 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MVDHIDVDMAXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c1-10-13(15(25)20-12-3-2-6-18-9-12)14(11-4-7-17-8-5-11)24-16(19-10)21-22-23-24/h2-9,14H,1H3,(H,20,25)(H,19,21,23).
What are the key properties of 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3237280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).