2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide

C11H16N4O2 — CID 114399474

IUPAC2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide
SMILESNCC1CN(c2cc(C(N)=O)ccn2)CCO1
InChIInChI=1S/C11H16N4O2/c12-6-9-7-15(3-4-17-9)10-5-8(11(13)16)1-2-14-10/h1-2,5,9H,3-4,6-7,12H2,(H2,13,16)
InChIKeyMJOHSJKVVAHISX-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.66
Rot. Bonds3

About 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide

2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide (PubChem CID 114399474) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide
PubChem CID114399474
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide
SMILESNCC1CN(c2cc(C(N)=O)ccn2)CCO1
InChIInChI=1S/C11H16N4O2/c12-6-9-7-15(3-4-17-9)10-5-8(11(13)16)1-2-14-10/h1-2,5,9H,3-4,6-7,12H2,(H2,13,16)
InChIKeyMJOHSJKVVAHISX-UHFFFAOYSA-N
XLogP-0.66
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide (CID 114399474) is 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide is NCC1CN(c2cc(C(N)=O)ccn2)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide?
The InChIKey is MJOHSJKVVAHISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-6-9-7-15(3-4-17-9)10-5-8(11(13)16)1-2-14-10/h1-2,5,9H,3-4,6-7,12H2,(H2,13,16).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide?
2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114399474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).