5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide

C13H20N4O3 — CID 114947788

IUPAC5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-17(8-13(19)2-4-20-5-3-13)12-10(11(15)18)6-9(14)7-16-12/h6-7,19H,2-5,8,14H2,1H3,(H2,15,18)
InChIKeyGVEHOVUQSYWCQC-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.26
Rot. Bonds4

About 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide

5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide (PubChem CID 114947788) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
PubChem CID114947788
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-17(8-13(19)2-4-20-5-3-13)12-10(11(15)18)6-9(14)7-16-12/h6-7,19H,2-5,8,14H2,1H3,(H2,15,18)
InChIKeyGVEHOVUQSYWCQC-UHFFFAOYSA-N
XLogP-0.26
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
CID 107197717
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136999433
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
5-amino-2-(diethylamino)pyridine-3-carboxamide
CID 61359746
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
CID 114952943
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377151
5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
CID 55005406

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide (CID 114947788) is 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide is CN(CC1(O)CCOCC1)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide?
The InChIKey is GVEHOVUQSYWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17(8-13(19)2-4-20-5-3-13)12-10(11(15)18)6-9(14)7-16-12/h6-7,19H,2-5,8,14H2,1H3,(H2,15,18).
What are the key properties of 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide?
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 114947788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).