N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C29H34N4O3 — CID 134474985

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1
InChIInChI=1S/C29H34N4O3/c1-33(2)29(14-3-4-15-29)20-31-27(35)25-7-5-6-24(18-25)26(19-34)32-28(36)23-10-8-21(9-11-23)22-12-16-30-17-13-22/h5-13,16-18,26,34H,3-4,14-15,19-20H2,1-2H3,(H,31,35)(H,32,36)/t26-/m1/s1
InChIKeyQHAORZFOLGTWMI-AREMUKBSSA-N
MW486.62 g/mol
LogP3.82
Rot. Bonds9

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 134474985) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID134474985
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1
InChIInChI=1S/C29H34N4O3/c1-33(2)29(14-3-4-15-29)20-31-27(35)25-7-5-6-24(18-25)26(19-34)32-28(36)23-10-8-21(9-11-23)22-12-16-30-17-13-22/h5-13,16-18,26,34H,3-4,14-15,19-20H2,1-2H3,(H,31,35)(H,32,36)/t26-/m1/s1
InChIKeyQHAORZFOLGTWMI-AREMUKBSSA-N
XLogP3.82
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 134474985) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is CN(C)C1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is QHAORZFOLGTWMI-AREMUKBSSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-33(2)29(14-3-4-15-29)20-31-27(35)25-7-5-6-24(18-25)26(19-34)32-28(36)23-10-8-21(9-11-23)22-12-16-30-17-13-22/h5-13,16-18,26,34H,3-4,14-15,19-20H2,1-2H3,(H,31,35)(H,32,36)/t26-/m1/s1.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 486.62 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134474985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).