4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

C23H33N5O — CID 47065929

IUPAC4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C23H33N5O/c1-4-27(5-2)18-19-6-8-21(9-7-19)23(29)25-17-20-10-11-24-22(16-20)28-14-12-26(3)13-15-28/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,25,29)
InChIKeyMSSHUGYZLBOJRG-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.61
Rot. Bonds8

About 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (PubChem CID 47065929) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
PubChem CID47065929
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C23H33N5O/c1-4-27(5-2)18-19-6-8-21(9-7-19)23(29)25-17-20-10-11-24-22(16-20)28-14-12-26(3)13-15-28/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,25,29)
InChIKeyMSSHUGYZLBOJRG-UHFFFAOYSA-N
XLogP2.61
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742686
1-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 131960881
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
4-(methylamino)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-nitrobenzamide
CID 47050214
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55742565
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 126769214
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (CID 47065929) is 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is CCN(CC)Cc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The InChIKey is MSSHUGYZLBOJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-4-27(5-2)18-19-6-8-21(9-7-19)23(29)25-17-20-10-11-24-22(16-20)28-14-12-26(3)13-15-28/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,25,29).
What are the key properties of 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 47065929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).