N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide

C22H23N3O4 — CID 177038655

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(-c3cc(C4CC4)ccn3)cc2c1C(=O)N(C)C(CO)C(N)=O
InChIInChI=1S/C22H23N3O4/c1-12-20(22(28)25(2)18(11-26)21(23)27)16-9-15(5-6-19(16)29-12)17-10-14(7-8-24-17)13-3-4-13/h5-10,13,18,26H,3-4,11H2,1-2H3,(H2,23,27)
InChIKeyMSCMJMDXPDRATL-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.60
Rot. Bonds6

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 177038655) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID177038655
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(-c3cc(C4CC4)ccn3)cc2c1C(=O)N(C)C(CO)C(N)=O
InChIInChI=1S/C22H23N3O4/c1-12-20(22(28)25(2)18(11-26)21(23)27)16-9-15(5-6-19(16)29-12)17-10-14(7-8-24-17)13-3-4-13/h5-10,13,18,26H,3-4,11H2,1-2H3,(H2,23,27)
InChIKeyMSCMJMDXPDRATL-UHFFFAOYSA-N
XLogP2.60
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 177038655) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(-c3cc(C4CC4)ccn3)cc2c1C(=O)N(C)C(CO)C(N)=O.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is MSCMJMDXPDRATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-12-20(22(28)25(2)18(11-26)21(23)27)16-9-15(5-6-19(16)29-12)17-10-14(7-8-24-17)13-3-4-13/h5-10,13,18,26H,3-4,11H2,1-2H3,(H2,23,27).
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 177038655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).