N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C19H24N4O2S — CID 118793609

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)N[C@H](C)C(N)=O)csc3C2)nc1
InChIInChI=1S/C19H24N4O2S/c1-3-13-4-5-14(21-8-13)9-23-7-6-15-16(11-26-17(15)10-23)19(25)22-12(2)18(20)24/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H2,20,24)(H,22,25)/t12-/m1/s1
InChIKeyGEWLZIIRAMUIPN-GFCCVEGCSA-N
MW372.49 g/mol
LogP1.87
Rot. Bonds6

About N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118793609) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118793609
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)N[C@H](C)C(N)=O)csc3C2)nc1
InChIInChI=1S/C19H24N4O2S/c1-3-13-4-5-14(21-8-13)9-23-7-6-15-16(11-26-17(15)10-23)19(25)22-12(2)18(20)24/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H2,20,24)(H,22,25)/t12-/m1/s1
InChIKeyGEWLZIIRAMUIPN-GFCCVEGCSA-N
XLogP1.87
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118793609) is N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)C(N)=O)csc3C2)nc1.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is GEWLZIIRAMUIPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-13-4-5-14(21-8-13)9-23-7-6-15-16(11-26-17(15)10-23)19(25)22-12(2)18(20)24/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H2,20,24)(H,22,25)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118793609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).