N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide

C24H24N4O4 — CID 155092417

IUPACN-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)c2ccc(N[C@@H]3CNC[C@H]3NC(=O)c3ccncc3)cc2)c(O)c1
InChIInChI=1S/C24H24N4O4/c1-32-18-6-7-19(22(29)12-18)23(30)15-2-4-17(5-3-15)27-20-13-26-14-21(20)28-24(31)16-8-10-25-11-9-16/h2-12,20-21,26-27,29H,13-14H2,1H3,(H,28,31)/t20-,21-/m1/s1
InChIKeyOKYSCFXGJAGJMC-NHCUHLMSSA-N
MW432.48 g/mol
LogP2.21
Rot. Bonds7

About N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide

N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 155092417) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID155092417
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)c2ccc(N[C@@H]3CNC[C@H]3NC(=O)c3ccncc3)cc2)c(O)c1
InChIInChI=1S/C24H24N4O4/c1-32-18-6-7-19(22(29)12-18)23(30)15-2-4-17(5-3-15)27-20-13-26-14-21(20)28-24(31)16-8-10-25-11-9-16/h2-12,20-21,26-27,29H,13-14H2,1H3,(H,28,31)/t20-,21-/m1/s1
InChIKeyOKYSCFXGJAGJMC-NHCUHLMSSA-N
XLogP2.21
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide (CID 155092417) is N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide is COc1ccc(C(=O)c2ccc(N[C@@H]3CNC[C@H]3NC(=O)c3ccncc3)cc2)c(O)c1.
What is the InChIKey of N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is OKYSCFXGJAGJMC-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-32-18-6-7-19(22(29)12-18)23(30)15-2-4-17(5-3-15)27-20-13-26-14-21(20)28-24(31)16-8-10-25-11-9-16/h2-12,20-21,26-27,29H,13-14H2,1H3,(H,28,31)/t20-,21-/m1/s1.
What are the key properties of N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[4-(2-hydroxy-4-methoxybenzoyl)anilino]pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 155092417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).