3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide

C23H21ClN4O2 — CID 127047061

IUPAC3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2CC(Cc3ccccc3)CC2=O)c(Cl)c1
InChIInChI=1S/C23H21ClN4O2/c24-18-13-17(27-23(30)22-19(25)7-4-10-26-22)8-9-20(18)28-14-16(12-21(28)29)11-15-5-2-1-3-6-15/h1-10,13,16H,11-12,14,25H2,(H,27,30)
InChIKeyGMARWYTUKIGILU-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.17
Rot. Bonds5

About 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide

3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide (PubChem CID 127047061) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
PubChem CID127047061
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2CC(Cc3ccccc3)CC2=O)c(Cl)c1
InChIInChI=1S/C23H21ClN4O2/c24-18-13-17(27-23(30)22-19(25)7-4-10-26-22)8-9-20(18)28-14-16(12-21(28)29)11-15-5-2-1-3-6-15/h1-10,13,16H,11-12,14,25H2,(H,27,30)
InChIKeyGMARWYTUKIGILU-UHFFFAOYSA-N
XLogP4.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide (CID 127047061) is 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(N2CC(Cc3ccccc3)CC2=O)c(Cl)c1.
What is the InChIKey of 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide?
The InChIKey is GMARWYTUKIGILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c24-18-13-17(27-23(30)22-19(25)7-4-10-26-22)8-9-20(18)28-14-16(12-21(28)29)11-15-5-2-1-3-6-15/h1-10,13,16H,11-12,14,25H2,(H,27,30).
What are the key properties of 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide?
3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127047061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).