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

C24H26N4O2 — CID 139400401

IUPACN-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H26N4O2/c1-16(19-5-4-6-20(13-19)24(30)28-22-7-2-3-8-22)27-23(29)18-11-9-17(10-12-18)21-14-25-26-15-21/h4-6,9-16,22H,2-3,7-8H2,1H3,(H,25,26)(H,27,29)(H,28,30)/t16-/m1/s1
InChIKeyCJXDNAFYNNSTPQ-MRXNPFEDSA-N
MW402.50 g/mol
LogP4.24
Rot. Bonds6

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

N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (PubChem CID 139400401) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
PubChem CID139400401
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H26N4O2/c1-16(19-5-4-6-20(13-19)24(30)28-22-7-2-3-8-22)27-23(29)18-11-9-17(10-12-18)21-14-25-26-15-21/h4-6,9-16,22H,2-3,7-8H2,1H3,(H,25,26)(H,27,29)(H,28,30)/t16-/m1/s1
InChIKeyCJXDNAFYNNSTPQ-MRXNPFEDSA-N
XLogP4.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (CID 139400401) is N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide is C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
The InChIKey is CJXDNAFYNNSTPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16(19-5-4-6-20(13-19)24(30)28-22-7-2-3-8-22)27-23(29)18-11-9-17(10-12-18)21-14-25-26-15-21/h4-6,9-16,22H,2-3,7-8H2,1H3,(H,25,26)(H,27,29)(H,28,30)/t16-/m1/s1.
What are the key properties of N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?
N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 139400401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).