[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone

C20H22N6O2S — CID 124986138

IUPAC[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
SMILESCCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccccn4)CCO3)c2)s1
InChIInChI=1S/C20H22N6O2S/c1-3-18-24-25-20(29-18)23-14-10-13(2)22-16(11-14)17-12-26(8-9-28-17)19(27)15-6-4-5-7-21-15/h4-7,10-11,17H,3,8-9,12H2,1-2H3,(H,22,23,25)/t17-/m1/s1
InChIKeyNWKDCRYXDUACEN-QGZVFWFLSA-N
MW410.50 g/mol
LogP3.16
Rot. Bonds5

About [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone

[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone (PubChem CID 124986138) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
PubChem CID124986138
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
SMILESCCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccccn4)CCO3)c2)s1
InChIInChI=1S/C20H22N6O2S/c1-3-18-24-25-20(29-18)23-14-10-13(2)22-16(11-14)17-12-26(8-9-28-17)19(27)15-6-4-5-7-21-15/h4-7,10-11,17H,3,8-9,12H2,1-2H3,(H,22,23,25)/t17-/m1/s1
InChIKeyNWKDCRYXDUACEN-QGZVFWFLSA-N
XLogP3.16
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone
CID 124965152
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]methanone
CID 127251620
[(2S)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124983996
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125017021
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
(3-methoxyphenyl)-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125013159
[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251356
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952717
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
[2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251425
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 124967851
[(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-methylphenyl)methanone
CID 125021896

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone (CID 124986138) is [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone is CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccccn4)CCO3)c2)s1.
What is the InChIKey of [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The InChIKey is NWKDCRYXDUACEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-3-18-24-25-20(29-18)23-14-10-13(2)22-16(11-14)17-12-26(8-9-28-17)19(27)15-6-4-5-7-21-15/h4-7,10-11,17H,3,8-9,12H2,1-2H3,(H,22,23,25)/t17-/m1/s1.
What are the key properties of [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone?
[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone has a molecular weight of 410.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124986138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).