4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide

C19H26N4O — CID 86850789

IUPAC4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCc2ccnc(N(C)C)c2)cc1
InChIInChI=1S/C19H26N4O/c1-5-23(6-2)17-9-7-16(8-10-17)19(24)21-14-15-11-12-20-18(13-15)22(3)4/h7-13H,5-6,14H2,1-4H3,(H,21,24)
InChIKeyLBVHVOSVIRCQSG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.92
Rot. Bonds7

About 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide

4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide (PubChem CID 86850789) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide
PubChem CID86850789
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCc2ccnc(N(C)C)c2)cc1
InChIInChI=1S/C19H26N4O/c1-5-23(6-2)17-9-7-16(8-10-17)19(24)21-14-15-11-12-20-18(13-15)22(3)4/h7-13H,5-6,14H2,1-4H3,(H,21,24)
InChIKeyLBVHVOSVIRCQSG-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78863513
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
CID 47028145
1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
CID 50830215
4-(difluoromethoxy)-N-[2-[[2-(dimethylamino)-4-pyridinyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55637064
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47043891
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide (CID 86850789) is 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide is CCN(CC)c1ccc(C(=O)NCc2ccnc(N(C)C)c2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide?
The InChIKey is LBVHVOSVIRCQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-23(6-2)17-9-7-16(8-10-17)19(24)21-14-15-11-12-20-18(13-15)22(3)4/h7-13H,5-6,14H2,1-4H3,(H,21,24).
What are the key properties of 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide?
4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 86850789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).