(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone

C12H17N3O2 — CID 105069397

IUPAC(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1ccncc1N
InChIInChI=1S/C12H17N3O2/c1-12(2)8-17-6-5-15(12)11(16)9-3-4-14-7-10(9)13/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyBJYDPVUYHHEKQT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds1

About (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone

(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 105069397) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID105069397
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1ccncc1N
InChIInChI=1S/C12H17N3O2/c1-12(2)8-17-6-5-15(12)11(16)9-3-4-14-7-10(9)13/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyBJYDPVUYHHEKQT-UHFFFAOYSA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103752604
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853
(3-amino-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745609
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416
4-(3-aminopyridine-4-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 105070550
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 114371991
3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 114114566
[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 62174330
(2-chloro-5-nitro-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103730924
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
CID 110850208

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 105069397) is (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)c1ccncc1N.
What is the InChIKey of (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is BJYDPVUYHHEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2)8-17-6-5-15(12)11(16)9-3-4-14-7-10(9)13/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 105069397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).