[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

C17H21N3O2 — CID 126808667

IUPAC[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCC(C)Nc1ncccc1C(=O)N1CCCc2occc2C1
InChIInChI=1S/C17H21N3O2/c1-12(2)19-16-14(5-3-8-18-16)17(21)20-9-4-6-15-13(11-20)7-10-22-15/h3,5,7-8,10,12H,4,6,9,11H2,1-2H3,(H,18,19)
InChIKeyQBAPTEGFQGKLFY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.08
Rot. Bonds3

About [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (PubChem CID 126808667) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.

Molecular Properties

Compound Name[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
PubChem CID126808667
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCC(C)Nc1ncccc1C(=O)N1CCCc2occc2C1
InChIInChI=1S/C17H21N3O2/c1-12(2)19-16-14(5-3-8-18-16)17(21)20-9-4-6-15-13(11-20)7-10-22-15/h3,5,7-8,10,12H,4,6,9,11H2,1-2H3,(H,18,19)
InChIKeyQBAPTEGFQGKLFY-UHFFFAOYSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone with MolForge

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Related Compounds

[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808666
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
(3S,4S)-4-methyl-1-[2-(propan-2-ylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 122112300
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124682502
(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 128714957
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124688110
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 166210041
[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 71990815
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167859052
[(3R,4S)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 97306187

Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The IUPAC name of [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (CID 126808667) is [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.
What is the SMILES notation for [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The canonical SMILES for [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is CC(C)Nc1ncccc1C(=O)N1CCCc2occc2C1.
What is the InChIKey of [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The InChIKey is QBAPTEGFQGKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)19-16-14(5-3-8-18-16)17(21)20-9-4-6-15-13(11-20)7-10-22-15/h3,5,7-8,10,12H,4,6,9,11H2,1-2H3,(H,18,19).
What are the key properties of [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is sourced from PubChem (CID 126808667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).