(3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide

C19H22ClN3O2S — CID 157430537

IUPAC(3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide
SMILESCC(C)NC(=O)C1=CN(Cc2ccc(Cl)cc2)C2C(=O)[C@@H](N)CSC2=C1
InChIInChI=1S/C19H22ClN3O2S/c1-11(2)22-19(25)13-7-16-17(18(24)15(21)10-26-16)23(9-13)8-12-3-5-14(20)6-4-12/h3-7,9,11,15,17H,8,10,21H2,1-2H3,(H,22,25)/t15-,17?/m0/s1
InChIKeyBQMAYIYKUIHTBI-MYJWUSKBSA-N
MW391.92 g/mol
LogP2.46
Rot. Bonds4

About (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide

(3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide (PubChem CID 157430537) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide
PubChem CID157430537
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name(3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide
SMILESCC(C)NC(=O)C1=CN(Cc2ccc(Cl)cc2)C2C(=O)[C@@H](N)CSC2=C1
InChIInChI=1S/C19H22ClN3O2S/c1-11(2)22-19(25)13-7-16-17(18(24)15(21)10-26-16)23(9-13)8-12-3-5-14(20)6-4-12/h3-7,9,11,15,17H,8,10,21H2,1-2H3,(H,22,25)/t15-,17?/m0/s1
InChIKeyBQMAYIYKUIHTBI-MYJWUSKBSA-N
XLogP2.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide?
The IUPAC name of (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide (CID 157430537) is (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide.
What is the SMILES notation for (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide?
The canonical SMILES for (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide is CC(C)NC(=O)C1=CN(Cc2ccc(Cl)cc2)C2C(=O)[C@@H](N)CSC2=C1.
What is the InChIKey of (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide?
The InChIKey is BQMAYIYKUIHTBI-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-11(2)22-19(25)13-7-16-17(18(24)15(21)10-26-16)23(9-13)8-12-3-5-14(20)6-4-12/h3-7,9,11,15,17H,8,10,21H2,1-2H3,(H,22,25)/t15-,17?/m0/s1.
What are the key properties of (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide?
(3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-[(4-chlorophenyl)methyl]-4-oxo-N-propan-2-yl-3,4a-dihydro-2H-thiopyrano[3,2-b]pyridine-7-carboxamide is sourced from PubChem (CID 157430537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).