N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

C20H20N4O2 — CID 95591999

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)n1-c1cccnc1
InChIInChI=1S/C20H20N4O2/c1-13-11-17(14(2)24(13)16-9-6-10-22-12-16)20(26)23-18(19(21)25)15-7-4-3-5-8-15/h3-12,18H,1-2H3,(H2,21,25)(H,23,26)/t18-/m1/s1
InChIKeyWINDKRJQYQJDOD-GOSISDBHSA-N
MW348.41 g/mol
LogP2.45
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 95591999) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID95591999
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)n1-c1cccnc1
InChIInChI=1S/C20H20N4O2/c1-13-11-17(14(2)24(13)16-9-6-10-22-12-16)20(26)23-18(19(21)25)15-7-4-3-5-8-15/h3-12,18H,1-2H3,(H2,21,25)(H,23,26)/t18-/m1/s1
InChIKeyWINDKRJQYQJDOD-GOSISDBHSA-N
XLogP2.45
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (CID 95591999) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)n1-c1cccnc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is WINDKRJQYQJDOD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-11-17(14(2)24(13)16-9-6-10-22-12-16)20(26)23-18(19(21)25)15-7-4-3-5-8-15/h3-12,18H,1-2H3,(H2,21,25)(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 95591999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).