(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

C18H19N7OS — CID 138588528

IUPAC(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)N4C[C@H]5C[C@@H]4CN5C)cc3n2)s1
InChIInChI=1S/C18H19N7OS/c1-10-22-23-17(27-10)14-4-3-11-7-19-16(6-15(11)20-14)21-18(26)25-9-12-5-13(25)8-24(12)2/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,19,21,26)/t12-,13-/m1/s1
InChIKeyZWWQALFSQXRKNJ-CHWSQXEVSA-N
MW381.47 g/mol
LogP2.38
Rot. Bonds2

About (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 138588528) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID138588528
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)N4C[C@H]5C[C@@H]4CN5C)cc3n2)s1
InChIInChI=1S/C18H19N7OS/c1-10-22-23-17(27-10)14-4-3-11-7-19-16(6-15(11)20-14)21-18(26)25-9-12-5-13(25)8-24(12)2/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,19,21,26)/t12-,13-/m1/s1
InChIKeyZWWQALFSQXRKNJ-CHWSQXEVSA-N
XLogP2.38
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
CID 159928967
2-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 138589710
4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
CID 138589977
(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 138606111
4-(1,3-difluoropropan-2-ylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138586981
(5S)-3-(2,2-difluoroethylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580214
(5S)-3-(1,3-difluoropropan-2-ylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138605098
(5S)-3-amino-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138604908
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
CID 158094840
(3R,4R)-4-amino-3-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138559085
2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 147019913
(3S,4S)-3-fluoro-4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138559175

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (CID 138588528) is (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is Cc1nnc(-c2ccc3cnc(NC(=O)N4C[C@H]5C[C@@H]4CN5C)cc3n2)s1.
What is the InChIKey of (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZWWQALFSQXRKNJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-10-22-23-17(27-10)14-4-3-11-7-19-16(6-15(11)20-14)21-18(26)25-9-12-5-13(25)8-24(12)2/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,19,21,26)/t12-,13-/m1/s1.
What are the key properties of (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 381.47 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 138588528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).