N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine

C23H19N7OS — CID 126751876

IUPACN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine
SMILESCOc1cc(CNc2nsc(-c3cc4cccnc4cn3)n2)cnc1-c1ccnc(C)c1
InChIInChI=1S/C23H19N7OS/c1-14-8-17(5-7-24-14)21-20(31-2)9-15(11-27-21)12-28-23-29-22(32-30-23)18-10-16-4-3-6-25-19(16)13-26-18/h3-11,13H,12H2,1-2H3,(H,28,30)
InChIKeyMDVWEWSBXBXAOT-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.53
Rot. Bonds6

About N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine

N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 126751876) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine
PubChem CID126751876
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC NameN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine
SMILESCOc1cc(CNc2nsc(-c3cc4cccnc4cn3)n2)cnc1-c1ccnc(C)c1
InChIInChI=1S/C23H19N7OS/c1-14-8-17(5-7-24-14)21-20(31-2)9-15(11-27-21)12-28-23-29-22(32-30-23)18-10-16-4-3-6-25-19(16)13-26-18/h3-11,13H,12H2,1-2H3,(H,28,30)
InChIKeyMDVWEWSBXBXAOT-UHFFFAOYSA-N
XLogP4.53
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine
CID 129033207
N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine
CID 129033206
3-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033215
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
CID 145293382
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile
CID 129033419
6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 71618805
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine
CID 145324737
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine
CID 71617942
N-benzyl-5-methoxy-2-methylpyridin-4-amine
CID 106660226
6-(3-methyl-5-propan-2-ylphenyl)-1,7-naphthyridine
CID 153463563

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine (CID 126751876) is N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine is COc1cc(CNc2nsc(-c3cc4cccnc4cn3)n2)cnc1-c1ccnc(C)c1.
What is the InChIKey of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is MDVWEWSBXBXAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c1-14-8-17(5-7-24-14)21-20(31-2)9-15(11-27-21)12-28-23-29-22(32-30-23)18-10-16-4-3-6-25-19(16)13-26-18/h3-11,13H,12H2,1-2H3,(H,28,30).
What are the key properties of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine?
N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 441.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 126751876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).