4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide

C17H26N4O — CID 133470685

IUPAC4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C17H26N4O/c18-17(22)15-12-19-8-7-16(15)21-11-5-6-14(13-21)20-9-3-1-2-4-10-20/h7-8,12,14H,1-6,9-11,13H2,(H2,18,22)
InChIKeyPVNGQADGBUSCJC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.03
Rot. Bonds3

About 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide

4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133470685) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133470685
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C17H26N4O/c18-17(22)15-12-19-8-7-16(15)21-11-5-6-14(13-21)20-9-3-1-2-4-10-20/h7-8,12,14H,1-6,9-11,13H2,(H2,18,22)
InChIKeyPVNGQADGBUSCJC-UHFFFAOYSA-N
XLogP2.03
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 133470685) is 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCCC(N2CCCCCC2)C1.
What is the InChIKey of 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is PVNGQADGBUSCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c18-17(22)15-12-19-8-7-16(15)21-11-5-6-14(13-21)20-9-3-1-2-4-10-20/h7-8,12,14H,1-6,9-11,13H2,(H2,18,22).
What are the key properties of 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133470685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).