4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide

C11H16N4O2 — CID 83095376

IUPAC4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccnc(N)c1
InChIInChI=1S/C11H16N4O2/c12-10-5-8(1-2-14-10)6-15-3-4-17-7-9(15)11(13)16/h1-2,5,9H,3-4,6-7H2,(H2,12,14)(H2,13,16)
InChIKeyCWRBBZXBLWFJBQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.65
Rot. Bonds3

About 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide

4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide (PubChem CID 83095376) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
PubChem CID83095376
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccnc(N)c1
InChIInChI=1S/C11H16N4O2/c12-10-5-8(1-2-14-10)6-15-3-4-17-7-9(15)11(13)16/h1-2,5,9H,3-4,6-7H2,(H2,12,14)(H2,13,16)
InChIKeyCWRBBZXBLWFJBQ-UHFFFAOYSA-N
XLogP-0.65
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 ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide (CID 83095376) is 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1ccnc(N)c1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide?
The InChIKey is CWRBBZXBLWFJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-10-5-8(1-2-14-10)6-15-3-4-17-7-9(15)11(13)16/h1-2,5,9H,3-4,6-7H2,(H2,12,14)(H2,13,16).
What are the key properties of 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide?
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).