4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide

C27H26N4O — CID 127249679

IUPAC4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(C3CCCCN3Cc3ccc4ncccc4c3)cn2)cc1
InChIInChI=1S/C27H26N4O/c28-27(32)21-9-7-20(8-10-21)24-13-11-23(17-30-24)26-5-1-2-15-31(26)18-19-6-12-25-22(16-19)4-3-14-29-25/h3-4,6-14,16-17,26H,1-2,5,15,18H2,(H2,28,32)
InChIKeyYXWWZEZXPPRGCL-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.12
Rot. Bonds5

About 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide

4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide (PubChem CID 127249679) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide
PubChem CID127249679
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(C3CCCCN3Cc3ccc4ncccc4c3)cn2)cc1
InChIInChI=1S/C27H26N4O/c28-27(32)21-9-7-20(8-10-21)24-13-11-23(17-30-24)26-5-1-2-15-31(26)18-19-6-12-25-22(16-19)4-3-14-29-25/h3-4,6-14,16-17,26H,1-2,5,15,18H2,(H2,28,32)
InChIKeyYXWWZEZXPPRGCL-UHFFFAOYSA-N
XLogP5.12
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide (CID 127249679) is 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide is NC(=O)c1ccc(-c2ccc(C3CCCCN3Cc3ccc4ncccc4c3)cn2)cc1.
What is the InChIKey of 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is YXWWZEZXPPRGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c28-27(32)21-9-7-20(8-10-21)24-13-11-23(17-30-24)26-5-1-2-15-31(26)18-19-6-12-25-22(16-19)4-3-14-29-25/h3-4,6-14,16-17,26H,1-2,5,15,18H2,(H2,28,32).
What are the key properties of 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide?
4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(quinolin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 127249679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).