N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide

C17H12N6OS — CID 74237063

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1ccc2nsnc2c1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C17H12N6OS/c24-17(21-8-11-1-2-14-15(7-11)23-25-22-14)13-9-19-16(20-10-13)12-3-5-18-6-4-12/h1-7,9-10H,8H2,(H,21,24)
InChIKeyLRNMHXPDYZQWOD-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.47
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 74237063) has the molecular formula C17H12N6OS and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID74237063
Molecular FormulaC17H12N6OS
Molecular Weight348.39 g/mol
Exact Mass348.08
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1ccc2nsnc2c1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C17H12N6OS/c24-17(21-8-11-1-2-14-15(7-11)23-25-22-14)13-9-19-16(20-10-13)12-3-5-18-6-4-12/h1-7,9-10H,8H2,(H,21,24)
InChIKeyLRNMHXPDYZQWOD-UHFFFAOYSA-N
XLogP2.47
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72901757
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 59379604
N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 74238749
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259114
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide
CID 131936663
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
CID 155966958

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 74237063) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide is O=C(NCc1ccc2nsnc2c1)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is LRNMHXPDYZQWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6OS/c24-17(21-8-11-1-2-14-15(7-11)23-25-22-14)13-9-19-16(20-10-13)12-3-5-18-6-4-12/h1-7,9-10H,8H2,(H,21,24).
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74237063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).