N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

C18H28N4O2 — CID 51082187

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC1CCN(CCNC(=O)c2cccnc2N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-4-8-21(9-5-15)10-7-20-18(23)16-3-2-6-19-17(16)22-11-13-24-14-12-22/h2-3,6,15H,4-5,7-14H2,1H3,(H,20,23)
InChIKeyCZPDWQDJZYJFHF-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 51082187) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID51082187
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC1CCN(CCNC(=O)c2cccnc2N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-4-8-21(9-5-15)10-7-20-18(23)16-3-2-6-19-17(16)22-11-13-24-14-12-22/h2-3,6,15H,4-5,7-14H2,1H3,(H,20,23)
InChIKeyCZPDWQDJZYJFHF-UHFFFAOYSA-N
XLogP1.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 51082187) is N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is CC1CCN(CCNC(=O)c2cccnc2N2CCOCC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is CZPDWQDJZYJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-4-8-21(9-5-15)10-7-20-18(23)16-3-2-6-19-17(16)22-11-13-24-14-12-22/h2-3,6,15H,4-5,7-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 51082187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).