N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C15H16N6O2S — CID 49354075

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2sccc2-n2cnnn2)c1C
InChIInChI=1S/C15H16N6O2S/c1-9-6-16-11(10(2)13(9)23-3)7-17-15(22)14-12(4-5-24-14)21-8-18-19-20-21/h4-6,8H,7H2,1-3H3,(H,17,22)
InChIKeyPYVCTSAFSQTODS-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.67
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 49354075) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID49354075
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2sccc2-n2cnnn2)c1C
InChIInChI=1S/C15H16N6O2S/c1-9-6-16-11(10(2)13(9)23-3)7-17-15(22)14-12(4-5-24-14)21-8-18-19-20-21/h4-6,8H,7H2,1-3H3,(H,17,22)
InChIKeyPYVCTSAFSQTODS-UHFFFAOYSA-N
XLogP1.67
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 49354075) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is COc1c(C)cnc(CNC(=O)c2sccc2-n2cnnn2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is PYVCTSAFSQTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-9-6-16-11(10(2)13(9)23-3)7-17-15(22)14-12(4-5-24-14)21-8-18-19-20-21/h4-6,8H,7H2,1-3H3,(H,17,22).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 49354075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).