6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide

C26H24N4O — CID 18436129

IUPAC6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C26H24N4O/c31-26(22-9-11-24(28-17-22)20-6-2-1-3-7-20)29-23-10-8-21-14-19(16-27-25(21)15-23)18-30-12-4-5-13-30/h1-3,6-11,14-17H,4-5,12-13,18H2,(H,29,31)
InChIKeyPMXRYNHUXSHQES-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.14
Rot. Bonds5

About 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide

6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide (PubChem CID 18436129) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
PubChem CID18436129
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C26H24N4O/c31-26(22-9-11-24(28-17-22)20-6-2-1-3-7-20)29-23-10-8-21-14-19(16-27-25(21)15-23)18-30-12-4-5-13-30/h1-3,6-11,14-17H,4-5,12-13,18H2,(H,29,31)
InChIKeyPMXRYNHUXSHQES-UHFFFAOYSA-N
XLogP5.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The IUPAC name of 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide (CID 18436129) is 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide is O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The InChIKey is PMXRYNHUXSHQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26(22-9-11-24(28-17-22)20-6-2-1-3-7-20)29-23-10-8-21-14-19(16-27-25(21)15-23)18-30-12-4-5-13-30/h1-3,6-11,14-17H,4-5,12-13,18H2,(H,29,31).
What are the key properties of 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 18436129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).