4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide

C29H38N4O — CID 141019887

IUPAC4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cc(N3C=CC=CC3C3CCCCN3)ccc2C)cc1
InChIInChI=1S/C29H38N4O/c1-4-32(5-2)21-23-13-15-24(16-14-23)29(34)31-27-20-25(17-12-22(27)3)33-19-9-7-11-28(33)26-10-6-8-18-30-26/h7,9,11-17,19-20,26,28,30H,4-6,8,10,18,21H2,1-3H3,(H,31,34)
InChIKeyNHQKGWHQYXDABO-UHFFFAOYSA-N
MW458.65 g/mol
LogP5.49
Rot. Bonds8

About 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide

4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide (PubChem CID 141019887) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide
PubChem CID141019887
Molecular FormulaC29H38N4O
Molecular Weight458.65 g/mol
Exact Mass458.30
IUPAC Name4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cc(N3C=CC=CC3C3CCCCN3)ccc2C)cc1
InChIInChI=1S/C29H38N4O/c1-4-32(5-2)21-23-13-15-24(16-14-23)29(34)31-27-20-25(17-12-22(27)3)33-19-9-7-11-28(33)26-10-6-8-18-30-26/h7,9,11-17,19-20,26,28,30H,4-6,8,10,18,21H2,1-3H3,(H,31,34)
InChIKeyNHQKGWHQYXDABO-UHFFFAOYSA-N
XLogP5.49
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444
N-[3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methylphenyl]-2-fluoro-5-pyrrolidin-1-ylbenzamide
CID 152523189
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308
4-(diethylaminomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 46435285
3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide
CID 86993613
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 55666676
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
3-chloro-N-[3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methylphenyl]-2-nitrobenzamide
CID 22291023
3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 70208034
N-[3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methylphenyl]-3-morpholin-4-yl-2-nitrobenzamide
CID 22291010
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide (CID 141019887) is 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide is CCN(CC)Cc1ccc(C(=O)Nc2cc(N3C=CC=CC3C3CCCCN3)ccc2C)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide?
The InChIKey is NHQKGWHQYXDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O/c1-4-32(5-2)21-23-13-15-24(16-14-23)29(34)31-27-20-25(17-12-22(27)3)33-19-9-7-11-28(33)26-10-6-8-18-30-26/h7,9,11-17,19-20,26,28,30H,4-6,8,10,18,21H2,1-3H3,(H,31,34).
What are the key properties of 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide?
4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide has a molecular weight of 458.65 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[2-methyl-5-(2-piperidin-2-yl-2H-pyridin-1-yl)phenyl]benzamide is sourced from PubChem (CID 141019887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).