8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C19H15N5OS — CID 1261743

IUPAC8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)s1
InChIInChI=1S/C19H15N5OS/c1-11-4-3-5-14-15(18(25)22-19-24-23-12(2)26-19)10-16(21-17(11)14)13-6-8-20-9-7-13/h3-10H,1-2H3,(H,22,24,25)
InChIKeyISLPNBOQVOXSEP-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.02
Rot. Bonds3

About 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide

8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1261743) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1261743
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)s1
InChIInChI=1S/C19H15N5OS/c1-11-4-3-5-14-15(18(25)22-19-24-23-12(2)26-19)10-16(21-17(11)14)13-6-8-20-9-7-13/h3-10H,1-2H3,(H,22,24,25)
InChIKeyISLPNBOQVOXSEP-UHFFFAOYSA-N
XLogP4.02
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 1186276
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CID 1401180
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CID 2091388
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CID 2221228
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CID 2321116
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CID 2366877
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CID 2441420
CID 2441420

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 1261743) is 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide is Cc1nnc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)s1.
What is the InChIKey of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is ISLPNBOQVOXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-11-4-3-5-14-15(18(25)22-19-24-23-12(2)26-19)10-16(21-17(11)14)13-6-8-20-9-7-13/h3-10H,1-2H3,(H,22,24,25).
What are the key properties of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).