5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide

C19H21BrN4O — CID 55840184

IUPAC5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
SMILESN#Cc1cccnc1NCCNC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN4O/c20-17-9-7-15(8-10-17)4-1-2-6-18(25)22-12-13-24-19-16(14-21)5-3-11-23-19/h3,5,7-11H,1-2,4,6,12-13H2,(H,22,25)(H,23,24)
InChIKeyYRBCKYIOTXTUNT-UHFFFAOYSA-N
MW401.31 g/mol
LogP3.66
Rot. Bonds9

About 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide

5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide (PubChem CID 55840184) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
PubChem CID55840184
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
SMILESN#Cc1cccnc1NCCNC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN4O/c20-17-9-7-15(8-10-17)4-1-2-6-18(25)22-12-13-24-19-16(14-21)5-3-11-23-19/h3,5,7-11H,1-2,4,6,12-13H2,(H,22,25)(H,23,24)
InChIKeyYRBCKYIOTXTUNT-UHFFFAOYSA-N
XLogP3.66
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-2-pyridinyl)-6-phenylhexanamide
CID 86616590
2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
CID 55840055
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 55729308
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 55729428
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 47066721
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
2-(3-bromo-2-methylindol-1-yl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
CID 55858166

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide (CID 55840184) is 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide is N#Cc1cccnc1NCCNC(=O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide?
The InChIKey is YRBCKYIOTXTUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O/c20-17-9-7-15(8-10-17)4-1-2-6-18(25)22-12-13-24-19-16(14-21)5-3-11-23-19/h3,5,7-11H,1-2,4,6,12-13H2,(H,22,25)(H,23,24).
What are the key properties of 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide?
5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide has a molecular weight of 401.31 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide is sourced from PubChem (CID 55840184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).