N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide

C24H26N4O3 — CID 134475016

IUPACN-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C24H26N4O3/c29-15-22(18-4-3-5-19(12-18)24(31)27-21-6-1-2-7-21)28-23(30)17-10-8-16(9-11-17)20-13-25-26-14-20/h3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30)/t22-/m1/s1
InChIKeyGHNAGJGAKNWTMY-JOCHJYFZSA-N
MW418.50 g/mol
LogP3.21
Rot. Bonds7

About N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide

N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (PubChem CID 134475016) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
PubChem CID134475016
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C24H26N4O3/c29-15-22(18-4-3-5-19(12-18)24(31)27-21-6-1-2-7-21)28-23(30)17-10-8-16(9-11-17)20-13-25-26-14-20/h3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30)/t22-/m1/s1
InChIKeyGHNAGJGAKNWTMY-JOCHJYFZSA-N
XLogP3.21
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (CID 134475016) is N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide is O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
The InChIKey is GHNAGJGAKNWTMY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-15-22(18-4-3-5-19(12-18)24(31)27-21-6-1-2-7-21)28-23(30)17-10-8-16(9-11-17)20-13-25-26-14-20/h3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,25,26)(H,27,31)(H,28,30)/t22-/m1/s1.
What are the key properties of N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 134475016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).