N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide

C21H29N7O — CID 59014144

IUPACN-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2cc(C(C)C)n3ncnc3n2)cc1
InChIInChI=1S/C21H29N7O/c1-5-27(6-2)12-11-22-20(29)16-7-9-17(10-8-16)25-19-13-18(15(3)4)28-21(26-19)23-14-24-28/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,29)(H,23,24,25,26)
InChIKeyOMIWKNCOKYTAHT-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.06
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide

N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide (PubChem CID 59014144) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide
PubChem CID59014144
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2cc(C(C)C)n3ncnc3n2)cc1
InChIInChI=1S/C21H29N7O/c1-5-27(6-2)12-11-22-20(29)16-7-9-17(10-8-16)25-19-13-18(15(3)4)28-21(26-19)23-14-24-28/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,29)(H,23,24,25,26)
InChIKeyOMIWKNCOKYTAHT-UHFFFAOYSA-N
XLogP3.06
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 11081863
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CID 91324654
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
(2S)-2-[[4-[2-(diethylamino)ethylcarbamoyl]benzoyl]amino]-4-methylpentanoic acid
CID 11523815

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide (CID 59014144) is N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide is CCN(CC)CCNC(=O)c1ccc(Nc2cc(C(C)C)n3ncnc3n2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide?
The InChIKey is OMIWKNCOKYTAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-5-27(6-2)12-11-22-20(29)16-7-9-17(10-8-16)25-19-13-18(15(3)4)28-21(26-19)23-14-24-28/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,29)(H,23,24,25,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide has a molecular weight of 395.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]benzamide is sourced from PubChem (CID 59014144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).