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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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).