N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide

C27H26N4O2 — CID 159838875

IUPACN-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccccc1C1=NCC(c2ccccc2)=C1
InChIInChI=1S/C27H26N4O2/c1-31(2)27(33)25(17-21-12-8-9-15-28-21)30-26(32)23-14-7-6-13-22(23)24-16-20(18-29-24)19-10-4-3-5-11-19/h3-16,25H,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1
InChIKeyNOKUDQPVPXJMGE-RUZDIDTESA-N
MW438.53 g/mol
LogP3.40
Rot. Bonds7

About N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide

N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide (PubChem CID 159838875) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
PubChem CID159838875
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccccc1C1=NCC(c2ccccc2)=C1
InChIInChI=1S/C27H26N4O2/c1-31(2)27(33)25(17-21-12-8-9-15-28-21)30-26(32)23-14-7-6-13-22(23)24-16-20(18-29-24)19-10-4-3-5-11-19/h3-16,25H,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1
InChIKeyNOKUDQPVPXJMGE-RUZDIDTESA-N
XLogP3.40
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
The IUPAC name of N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide (CID 159838875) is N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
The canonical SMILES for N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide is CN(C)C(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccccc1C1=NCC(c2ccccc2)=C1.
What is the InChIKey of N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
The InChIKey is NOKUDQPVPXJMGE-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N4O2/c1-31(2)27(33)25(17-21-12-8-9-15-28-21)30-26(32)23-14-7-6-13-22(23)24-16-20(18-29-24)19-10-4-3-5-11-19/h3-16,25H,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide has a molecular weight of 438.53 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide is sourced from PubChem (CID 159838875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).