4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide

C12H17N3O2 — CID 133313842

IUPAC4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(c2ccnc(C(N)=O)c2)CCO1
InChIInChI=1S/C12H17N3O2/c1-12(2)8-15(5-6-17-12)9-3-4-14-10(7-9)11(13)16/h3-4,7H,5-6,8H2,1-2H3,(H2,13,16)
InChIKeyPFCVNRSOUOLFCC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.80
Rot. Bonds2

About 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide

4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide (PubChem CID 133313842) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide
PubChem CID133313842
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(c2ccnc(C(N)=O)c2)CCO1
InChIInChI=1S/C12H17N3O2/c1-12(2)8-15(5-6-17-12)9-3-4-14-10(7-9)11(13)16/h3-4,7H,5-6,8H2,1-2H3,(H2,13,16)
InChIKeyPFCVNRSOUOLFCC-UHFFFAOYSA-N
XLogP0.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
N-[[4-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62283828
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
4-(6-chloropyridazin-4-yl)-2,2-dimethylmorpholine
CID 114478121
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide
CID 118065514
2,2-dimethyl-4-phenylmorpholine
CID 15576765
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
4-(2,2-dimethylmorpholin-4-yl)-2-methoxyaniline
CID 63669991
4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
CID 133313833

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide (CID 133313842) is 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide is CC1(C)CN(c2ccnc(C(N)=O)c2)CCO1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The InChIKey is PFCVNRSOUOLFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2)8-15(5-6-17-12)9-3-4-14-10(7-9)11(13)16/h3-4,7H,5-6,8H2,1-2H3,(H2,13,16).
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 133313842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).