3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide

C23H32N4O — CID 44528288

IUPAC3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccnc(N(C)C3CCN(CC(C)C)CC3)c2)c1
InChIInChI=1S/C23H32N4O/c1-17(2)16-27-12-9-21(10-13-27)26(4)22-15-20(8-11-24-22)25-23(28)19-7-5-6-18(3)14-19/h5-8,11,14-15,17,21H,9-10,12-13,16H2,1-4H3,(H,24,25,28)
InChIKeyVKIMNIFOQJKBSQ-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.20
Rot. Bonds6

About 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide

3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide (PubChem CID 44528288) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide
PubChem CID44528288
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccnc(N(C)C3CCN(CC(C)C)CC3)c2)c1
InChIInChI=1S/C23H32N4O/c1-17(2)16-27-12-9-21(10-13-27)26(4)22-15-20(8-11-24-22)25-23(28)19-7-5-6-18(3)14-19/h5-8,11,14-15,17,21H,9-10,12-13,16H2,1-4H3,(H,24,25,28)
InChIKeyVKIMNIFOQJKBSQ-UHFFFAOYSA-N
XLogP4.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide
CID 44528177
N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide
CID 44528244
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
CID 145450109
N-[2-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 45481497
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080208
N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-3-nitrobenzamide
CID 19064680
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide
CID 44528272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide (CID 44528288) is 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide is Cc1cccc(C(=O)Nc2ccnc(N(C)C3CCN(CC(C)C)CC3)c2)c1.
What is the InChIKey of 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide?
The InChIKey is VKIMNIFOQJKBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-17(2)16-27-12-9-21(10-13-27)26(4)22-15-20(8-11-24-22)25-23(28)19-7-5-6-18(3)14-19/h5-8,11,14-15,17,21H,9-10,12-13,16H2,1-4H3,(H,24,25,28).
What are the key properties of 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide?
3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide has a molecular weight of 380.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 44528288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).