N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide

C20H26N6O — CID 131931125

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide
SMILESCc1ccc2ncnc(NC(C)C(=O)NCCCn3nc(C)cc3C)c2c1
InChIInChI=1S/C20H26N6O/c1-13-6-7-18-17(10-13)19(23-12-22-18)24-16(4)20(27)21-8-5-9-26-15(3)11-14(2)25-26/h6-7,10-12,16H,5,8-9H2,1-4H3,(H,21,27)(H,22,23,24)
InChIKeyCLMQZVJGGHTFBA-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide (PubChem CID 131931125) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide
PubChem CID131931125
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide
SMILESCc1ccc2ncnc(NC(C)C(=O)NCCCn3nc(C)cc3C)c2c1
InChIInChI=1S/C20H26N6O/c1-13-6-7-18-17(10-13)19(23-12-22-18)24-16(4)20(27)21-8-5-9-26-15(3)11-14(2)25-26/h6-7,10-12,16H,5,8-9H2,1-4H3,(H,21,27)(H,22,23,24)
InChIKeyCLMQZVJGGHTFBA-UHFFFAOYSA-N
XLogP2.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]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

(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
CID 126444405
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
CID 163215900
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
CID 114538986
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19537924
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide
CID 52514832
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide
CID 52514829
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide (CID 131931125) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide is Cc1ccc2ncnc(NC(C)C(=O)NCCCn3nc(C)cc3C)c2c1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide?
The InChIKey is CLMQZVJGGHTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13-6-7-18-17(10-13)19(23-12-22-18)24-16(4)20(27)21-8-5-9-26-15(3)11-14(2)25-26/h6-7,10-12,16H,5,8-9H2,1-4H3,(H,21,27)(H,22,23,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 131931125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).