4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide

C20H24N4O2 — CID 133355871

IUPAC4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
SMILESNC(=O)CC1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N4O2/c21-19(25)11-16-7-4-10-24(14-16)17-8-9-22-18(12-17)20(26)23-13-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H2,21,25)(H,23,26)
InChIKeyHQKFWKXMGNEDKR-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.10
Rot. Bonds6

About 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide

4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide (PubChem CID 133355871) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
PubChem CID133355871
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
SMILESNC(=O)CC1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N4O2/c21-19(25)11-16-7-4-10-24(14-16)17-8-9-22-18(12-17)20(26)23-13-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H2,21,25)(H,23,26)
InChIKeyHQKFWKXMGNEDKR-UHFFFAOYSA-N
XLogP2.10
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide?
The IUPAC name of 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide (CID 133355871) is 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide is NC(=O)CC1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1.
What is the InChIKey of 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide?
The InChIKey is HQKFWKXMGNEDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-19(25)11-16-7-4-10-24(14-16)17-8-9-22-18(12-17)20(26)23-13-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H2,21,25)(H,23,26).
What are the key properties of 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide?
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide is sourced from PubChem (CID 133355871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).