N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

C17H25N3O2 — CID 109226638

IUPACN-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C17H25N3O2/c21-17(20-14-5-2-1-3-6-14)13-9-15(11-18-10-13)19-12-16-7-4-8-22-16/h9-11,14,16,19H,1-8,12H2,(H,20,21)
InChIKeyNZMCJKBKQVBYOU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.73
Rot. Bonds5

About N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109226638) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109226638
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C17H25N3O2/c21-17(20-14-5-2-1-3-6-14)13-9-15(11-18-10-13)19-12-16-7-4-8-22-16/h9-11,14,16,19H,1-8,12H2,(H,20,21)
InChIKeyNZMCJKBKQVBYOU-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072
N-cyclopentyl-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224923
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229945
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (CID 109226638) is N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is O=C(NC1CCCCC1)c1cncc(NCC2CCCO2)c1.
What is the InChIKey of N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is NZMCJKBKQVBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(20-14-5-2-1-3-6-14)13-9-15(11-18-10-13)19-12-16-7-4-8-22-16/h9-11,14,16,19H,1-8,12H2,(H,20,21).
What are the key properties of N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109226638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).