3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide

C12H17N3O2 — CID 104742495

IUPAC3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)c1ncccc1N
InChIInChI=1S/C12H17N3O2/c1-15(7-8-5-9(16)6-8)12(17)11-10(13)3-2-4-14-11/h2-4,8-9,16H,5-7,13H2,1H3
InChIKeyYMXMRKBSZBTHQV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide

3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 104742495) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID104742495
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)c1ncccc1N
InChIInChI=1S/C12H17N3O2/c1-15(7-8-5-9(16)6-8)12(17)11-10(13)3-2-4-14-11/h2-4,8-9,16H,5-7,13H2,1H3
InChIKeyYMXMRKBSZBTHQV-UHFFFAOYSA-N
XLogP0.51
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104671170
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 104783050
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
3-amino-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741078
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide (CID 104742495) is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide is CN(CC1CC(O)C1)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is YMXMRKBSZBTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(7-8-5-9(16)6-8)12(17)11-10(13)3-2-4-14-11/h2-4,8-9,16H,5-7,13H2,1H3.
What are the key properties of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide?
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104742495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).