N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide

C30H40N6O2 — CID 11081863

IUPACN-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCCN(CC)CC)cc3)ncn2)cc1
InChIInChI=1S/C30H40N6O2/c1-5-35(6-2)19-17-31-29(37)25-13-9-23(10-14-25)27-21-28(34-22-33-27)24-11-15-26(16-12-24)30(38)32-18-20-36(7-3)8-4/h9-16,21-22H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyURRVBCDVPYBWLD-UHFFFAOYSA-N
MW516.69 g/mol
LogP3.95
Rot. Bonds14

About N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide

N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide (PubChem CID 11081863) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
PubChem CID11081863
Molecular FormulaC30H40N6O2
Molecular Weight516.69 g/mol
Exact Mass516.32
IUPAC NameN-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCCN(CC)CC)cc3)ncn2)cc1
InChIInChI=1S/C30H40N6O2/c1-5-35(6-2)19-17-31-29(37)25-13-9-23(10-14-25)27-21-28(34-22-33-27)24-11-15-26(16-12-24)30(38)32-18-20-36(7-3)8-4/h9-16,21-22H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyURRVBCDVPYBWLD-UHFFFAOYSA-N
XLogP3.95
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783608
N-[2-(diethylamino)ethyl]-4-(1H-imidazol-2-yl)benzamide
CID 14664370
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide
CID 119074661
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide (CID 11081863) is N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide is CCN(CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCCN(CC)CC)cc3)ncn2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide?
The InChIKey is URRVBCDVPYBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2/c1-5-35(6-2)19-17-31-29(37)25-13-9-23(10-14-25)27-21-28(34-22-33-27)24-11-15-26(16-12-24)30(38)32-18-20-36(7-3)8-4/h9-16,21-22H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide?
N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide has a molecular weight of 516.69 g/mol, XLogP of 3.95, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 11081863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).