N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C24H29N5O — CID 50783608

IUPACN-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1
InChIInChI=1S/C24H29N5O/c1-4-29(5-2)14-13-25-24(30)20-7-6-8-21(15-20)28-23-16-22(26-17-27-23)19-11-9-18(3)10-12-19/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,25,30)(H,26,27,28)
InChIKeyUUYTXTZEPWZRFG-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.27
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 50783608) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID50783608
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1
InChIInChI=1S/C24H29N5O/c1-4-29(5-2)14-13-25-24(30)20-7-6-8-21(15-20)28-23-16-22(26-17-27-23)19-11-9-18(3)10-12-19/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,25,30)(H,26,27,28)
InChIKeyUUYTXTZEPWZRFG-UHFFFAOYSA-N
XLogP4.27
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-N-[2-(4-propylpiperazin-1-yl)ethyl]benzamide
CID 50783692
N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)benzamide
CID 50783694
N-[2-[benzyl(ethyl)amino]ethyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331386
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
N-(3-chloro-4-methylphenyl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327113
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 50783608) is N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is CCN(CC)CCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is UUYTXTZEPWZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-4-29(5-2)14-13-25-24(30)20-7-6-8-21(15-20)28-23-16-22(26-17-27-23)19-11-9-18(3)10-12-19/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,25,30)(H,26,27,28).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 50783608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).