azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone

C18H23N3O2 — CID 59625393

IUPACazepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CCCCCC2)c(NCc2ccco2)n1
InChIInChI=1S/C18H23N3O2/c1-14-8-9-16(18(22)21-10-4-2-3-5-11-21)17(20-14)19-13-15-7-6-12-23-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)
InChIKeyJCTPWJNVLSRFOU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds4

About azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone

azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone (PubChem CID 59625393) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone
PubChem CID59625393
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameazepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CCCCCC2)c(NCc2ccco2)n1
InChIInChI=1S/C18H23N3O2/c1-14-8-9-16(18(22)21-10-4-2-3-5-11-21)17(20-14)19-13-15-7-6-12-23-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)
InChIKeyJCTPWJNVLSRFOU-UHFFFAOYSA-N
XLogP3.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide
CID 135393472
3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
CID 137349240
Dipyridodiazepinone deriv. 39
CID 463559
1-ethyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 859261
(5Z)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1616902
N-(2-furylmethyl)-N'-(6-methylpyridin-2-yl)thiourea
CID 3342641
4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 142609112
1-(2-Furylmethyl)-2-imino-10-methyl-5-oxo-N-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1524115
1-Benzyl-7-(furan-2-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2112373
7-(Furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2112380
1-ethyl-N-[4-(2-furoylamino)phenyl]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 3237088
N-(2-furylmethyl)-2-[(2-methylphenyl)amino]quinoline-4-carboxamide
CID 12005289

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone (CID 59625393) is azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone is Cc1ccc(C(=O)N2CCCCCC2)c(NCc2ccco2)n1.
What is the InChIKey of azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
The InChIKey is JCTPWJNVLSRFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-8-9-16(18(22)21-10-4-2-3-5-11-21)17(20-14)19-13-15-7-6-12-23-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20).
What are the key properties of azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 59625393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).