N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide

C26H22N2O3 — CID 127040355

IUPACN-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc2oc(-c3cc4ccccc4c4ccccc34)c(CCNC(C)=O)c2n1
InChIInChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
InChIKeyDVLINYDEMGFXFS-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.49
Rot. Bonds5

About N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide

N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 127040355) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
PubChem CID127040355
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc2oc(-c3cc4ccccc4c4ccccc34)c(CCNC(C)=O)c2n1
InChIInChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
InChIKeyDVLINYDEMGFXFS-UHFFFAOYSA-N
XLogP5.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methoxy-2-naphthalen-2-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127040021
N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442
N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042791
N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide
CID 10592763
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
CID 11709518
(NE)-N-[5-[[2-(4-methylphenyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 16045682
N-[2-(5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 19703015
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-diethylethane-1,2-diamine
CID 44420781
2-[[2-(2-Methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methylamino]ethanol
CID 129137991
N-[(4-ethylphenyl)methyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 6622683
N-[(3-methoxyphenyl)methyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 9550982

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide (CID 127040355) is N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide is COc1ccc2oc(-c3cc4ccccc4c4ccccc34)c(CCNC(C)=O)c2n1.
What is the InChIKey of N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is DVLINYDEMGFXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 127040355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).