N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

C12H17N3O2 — CID 654022

IUPACN-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccncc1
InChIInChI=1S/C12H17N3O2/c16-12(11-1-3-13-4-2-11)14-5-6-15-7-9-17-10-8-15/h1-4H,5-10H2,(H,14,16)
InChIKeyMQQMRCAJIRAVRN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.14
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 654022) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
PubChem CID654022
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccncc1
InChIInChI=1S/C12H17N3O2/c16-12(11-1-3-13-4-2-11)14-5-6-15-7-9-17-10-8-15/h1-4H,5-10H2,(H,14,16)
InChIKeyMQQMRCAJIRAVRN-UHFFFAOYSA-N
XLogP0.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (CID 654022) is N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is O=C(NCCN1CCOCC1)c1ccncc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is MQQMRCAJIRAVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(11-1-3-13-4-2-11)14-5-6-15-7-9-17-10-8-15/h1-4H,5-10H2,(H,14,16).
What are the key properties of N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 654022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).