formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide

C13H20N4O4 — CID 171686529

IUPACformic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide
SMILESCN1CCOC(CNc2cc(C(N)=O)ccn2)C1.O=CO
InChIInChI=1S/C12H18N4O2.CH2O2/c1-16-4-5-18-10(8-16)7-15-11-6-9(12(13)17)2-3-14-11;2-1-3/h2-3,6,10H,4-5,7-8H2,1H3,(H2,13,17)(H,14,15);1H,(H,2,3)
InChIKeyWZMFGYFHEVHCFD-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.38
Rot. Bonds4

About formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide

formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide (PubChem CID 171686529) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Nameformic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide
PubChem CID171686529
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Nameformic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide
SMILESCN1CCOC(CNc2cc(C(N)=O)ccn2)C1.O=CO
InChIInChI=1S/C12H18N4O2.CH2O2/c1-16-4-5-18-10(8-16)7-15-11-6-9(12(13)17)2-3-14-11;2-1-3/h2-3,6,10H,4-5,7-8H2,1H3,(H2,13,17)(H,14,15);1H,(H,2,3)
InChIKeyWZMFGYFHEVHCFD-UHFFFAOYSA-N
XLogP-0.38
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone
CID 135089139
6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide
CID 131896641
4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 133443007
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80850810
5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 79070897
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
N-[(4-methylmorpholin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 78986336
6-[(4-methylmorpholin-2-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343069
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide?
The IUPAC name of formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide (CID 171686529) is formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide is CN1CCOC(CNc2cc(C(N)=O)ccn2)C1.O=CO.
What is the InChIKey of formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide?
The InChIKey is WZMFGYFHEVHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.CH2O2/c1-16-4-5-18-10(8-16)7-15-11-6-9(12(13)17)2-3-14-11;2-1-3/h2-3,6,10H,4-5,7-8H2,1H3,(H2,13,17)(H,14,15);1H,(H,2,3).
What are the key properties of formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide?
formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 171686529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).