2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide

C21H28N4O2 — CID 143998085

IUPAC2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide
SMILESCc1cccc(NC(=O)NCCCc2cccc(NC(=O)C(C)(C)C)n2)c1
InChIInChI=1S/C21H28N4O2/c1-15-8-5-10-17(14-15)24-20(27)22-13-7-11-16-9-6-12-18(23-16)25-19(26)21(2,3)4/h5-6,8-10,12,14H,7,11,13H2,1-4H3,(H2,22,24,27)(H,23,25,26)
InChIKeyQCLBQRDPXYNUHP-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.13
Rot. Bonds6

About 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide

2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide (PubChem CID 143998085) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide
PubChem CID143998085
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide
SMILESCc1cccc(NC(=O)NCCCc2cccc(NC(=O)C(C)(C)C)n2)c1
InChIInChI=1S/C21H28N4O2/c1-15-8-5-10-17(14-15)24-20(27)22-13-7-11-16-9-6-12-18(23-16)25-19(26)21(2,3)4/h5-6,8-10,12,14H,7,11,13H2,1-4H3,(H2,22,24,27)(H,23,25,26)
InChIKeyQCLBQRDPXYNUHP-UHFFFAOYSA-N
XLogP4.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide 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

1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
3-methylpentan-3-yl N-[6-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-pyridinyl]carbamate
CID 90690209
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 15541065
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 165487363
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-(3-methylphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945080

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide (CID 143998085) is 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide is Cc1cccc(NC(=O)NCCCc2cccc(NC(=O)C(C)(C)C)n2)c1.
What is the InChIKey of 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide?
The InChIKey is QCLBQRDPXYNUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-8-5-10-17(14-15)24-20(27)22-13-7-11-16-9-6-12-18(23-16)25-19(26)21(2,3)4/h5-6,8-10,12,14H,7,11,13H2,1-4H3,(H2,22,24,27)(H,23,25,26).
What are the key properties of 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide?
2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-[3-[(3-methylphenyl)carbamoylamino]propyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 143998085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).