5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide

C13H19N3O3 — CID 104758395

IUPAC5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(CN)cn2)CCOC1
InChIInChI=1S/C13H19N3O3/c1-18-13(4-5-19-9-13)8-16-12(17)11-3-2-10(6-14)7-15-11/h2-3,7H,4-6,8-9,14H2,1H3,(H,16,17)
InChIKeyNDDOYYGPZVXFQF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.08
Rot. Bonds5

About 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide

5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 104758395) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID104758395
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(CN)cn2)CCOC1
InChIInChI=1S/C13H19N3O3/c1-18-13(4-5-19-9-13)8-16-12(17)11-3-2-10(6-14)7-15-11/h2-3,7H,4-6,8-9,14H2,1H3,(H,16,17)
InChIKeyNDDOYYGPZVXFQF-UHFFFAOYSA-N
XLogP0.08
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2,N4-Bis(2-methoxyethyl)-2,4-pyridinedicarboxamide
CID 60788
Safironil
CID 65973
N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 2964204
5-(2-cyclopentylethynyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 72713856
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3238743
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-2-carboxamide
CID 3239666
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]pyridine-2-carboxamide
CID 44302157
4-(2-fluoroanilino)-N-(2-methoxyethyl)-5-[(E)-prop-1-enyl]pyridine-2-carboxamide
CID 168283261
[(Pyridine-2-carbonyl)-amino]-acetic acid methyl ester
CID 43404717
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3238127
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 3245784
N-[1-(3-Ethoxy-propylcarbamoyl)-2-(1H-pyrrol-2-yl)-vinyl]-benzamide
CID 5771251

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide (CID 104758395) is 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide is COC1(CNC(=O)c2ccc(CN)cn2)CCOC1.
What is the InChIKey of 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NDDOYYGPZVXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-13(4-5-19-9-13)8-16-12(17)11-3-2-10(6-14)7-15-11/h2-3,7H,4-6,8-9,14H2,1H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104758395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).