N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide

C19H22N6O2S — CID 155230435

IUPACN,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide
SMILESCc1cccnc1Nc1nc(-c2cc(C(=O)N(C)C)c(OC(C)C)cn2)ns1
InChIInChI=1S/C19H22N6O2S/c1-11(2)27-15-10-21-14(9-13(15)18(26)25(4)5)17-23-19(28-24-17)22-16-12(3)7-6-8-20-16/h6-11H,1-5H3,(H,20,22,23,24)
InChIKeyVKYGCNPBMVTCDY-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.54
Rot. Bonds6

About N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide

N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide (PubChem CID 155230435) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide
PubChem CID155230435
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide
SMILESCc1cccnc1Nc1nc(-c2cc(C(=O)N(C)C)c(OC(C)C)cn2)ns1
InChIInChI=1S/C19H22N6O2S/c1-11(2)27-15-10-21-14(9-13(15)18(26)25(4)5)17-23-19(28-24-17)22-16-12(3)7-6-8-20-16/h6-11H,1-5H3,(H,20,22,23,24)
InChIKeyVKYGCNPBMVTCDY-UHFFFAOYSA-N
XLogP3.54
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Triazine-4-carboxamide, 13
CID 44520938
4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 142609098
3-[5-(1-cyclopropyl-3,3-difluoropiperidin-4-yl)oxypyridin-2-yl]-N-(3-methylpyridin-2-yl)-1,2,4-thiadiazol-5-amine
CID 155230143
3-N,3-N-dimethyl-2-N-[3-[5-propan-2-yloxy-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230212
N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230217
N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230223
3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230270
3-(3-cyclopropyloxypyridin-2-yl)-N-[5-propan-2-yl-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-amine
CID 155230314
2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine
CID 155230363
N-methyl-N-[5-methyl-6-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide
CID 155230370
3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230437
3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230452

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide (CID 155230435) is N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide is Cc1cccnc1Nc1nc(-c2cc(C(=O)N(C)C)c(OC(C)C)cn2)ns1.
What is the InChIKey of N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide?
The InChIKey is VKYGCNPBMVTCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-11(2)27-15-10-21-14(9-13(15)18(26)25(4)5)17-23-19(28-24-17)22-16-12(3)7-6-8-20-16/h6-11H,1-5H3,(H,20,22,23,24).
What are the key properties of N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide?
N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide is sourced from PubChem (CID 155230435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).