4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C23H24N6O2S — CID 127244687

IUPAC4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nnc(Nc2cccc(C3CCN(C(=O)C4CC(=O)Nc5ccccc54)CC3)n2)s1
InChIInChI=1S/C23H24N6O2S/c1-14-27-28-23(32-14)26-20-8-4-7-18(24-20)15-9-11-29(12-10-15)22(31)17-13-21(30)25-19-6-3-2-5-16(17)19/h2-8,15,17H,9-13H2,1H3,(H,25,30)(H,24,26,28)
InChIKeyOMCXXQJWJVURJP-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.82
Rot. Bonds4

About 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 127244687) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID127244687
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nnc(Nc2cccc(C3CCN(C(=O)C4CC(=O)Nc5ccccc54)CC3)n2)s1
InChIInChI=1S/C23H24N6O2S/c1-14-27-28-23(32-14)26-20-8-4-7-18(24-20)15-9-11-29(12-10-15)22(31)17-13-21(30)25-19-6-3-2-5-16(17)19/h2-8,15,17H,9-13H2,1H3,(H,25,30)(H,24,26,28)
InChIKeyOMCXXQJWJVURJP-UHFFFAOYSA-N
XLogP3.82
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 127244687) is 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cc1nnc(Nc2cccc(C3CCN(C(=O)C4CC(=O)Nc5ccccc54)CC3)n2)s1.
What is the InChIKey of 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OMCXXQJWJVURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-14-27-28-23(32-14)26-20-8-4-7-18(24-20)15-9-11-29(12-10-15)22(31)17-13-21(30)25-19-6-3-2-5-16(17)19/h2-8,15,17H,9-13H2,1H3,(H,25,30)(H,24,26,28).
What are the key properties of 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 448.55 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 127244687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).