N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide

C19H27N3O2 — CID 143374825

IUPACN-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide
SMILESCC(C)(C)c1oc2ncccc2c1NC(=O)N1CCCCCCC1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)16-15(14-10-9-11-20-17(14)24-16)21-18(23)22-12-7-5-4-6-8-13-22/h9-11H,4-8,12-13H2,1-3H3,(H,21,23)
InChIKeyTYAXBVOQNMXJLY-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.92
Rot. Bonds1

About N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide

N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide (PubChem CID 143374825) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide
PubChem CID143374825
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide
SMILESCC(C)(C)c1oc2ncccc2c1NC(=O)N1CCCCCCC1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)16-15(14-10-9-11-20-17(14)24-16)21-18(23)22-12-7-5-4-6-8-13-22/h9-11H,4-8,12-13H2,1-3H3,(H,21,23)
InChIKeyTYAXBVOQNMXJLY-UHFFFAOYSA-N
XLogP4.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374828
2-(piperidine-1-carbonylamino)pyridine-3-carboxylic acid
CID 79155083
3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374812
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
3-[[4-(2,4-difluorophenyl)piperazine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374963
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 167952517
N-(2-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methylpiperazine-1-carboxamide
CID 154703334
N-(3-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 3411498
3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 15985087
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374961

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide?
The IUPAC name of N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide (CID 143374825) is N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide?
The canonical SMILES for N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide is CC(C)(C)c1oc2ncccc2c1NC(=O)N1CCCCCCC1.
What is the InChIKey of N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide?
The InChIKey is TYAXBVOQNMXJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)16-15(14-10-9-11-20-17(14)24-16)21-18(23)22-12-7-5-4-6-8-13-22/h9-11H,4-8,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide?
N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide is sourced from PubChem (CID 143374825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).