N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide

C15H21N3O2 — CID 105070797

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C15H21N3O2/c1-2-6-17-13-9-16-7-5-11(13)15(19)18-12-8-10-3-4-14(12)20-10/h5,7,9-10,12,14,17H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyLQWSDUFWGXOSLM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.95
Rot. Bonds5

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105070797) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105070797
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C15H21N3O2/c1-2-6-17-13-9-16-7-5-11(13)15(19)18-12-8-10-3-4-14(12)20-10/h5,7,9-10,12,14,17H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyLQWSDUFWGXOSLM-UHFFFAOYSA-N
XLogP1.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070253
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
3-(ethylamino)-N-(2-hydroxycycloheptyl)pyridine-4-carboxamide
CID 105071069
2-(ethylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-carboxamide
CID 80601928
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105071358
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 119039707
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069328
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide (CID 105070797) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is LQWSDUFWGXOSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-6-17-13-9-16-7-5-11(13)15(19)18-12-8-10-3-4-14(12)20-10/h5,7,9-10,12,14,17H,2-4,6,8H2,1H3,(H,18,19).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).