N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide

C26H20N2O2 — CID 134150726

IUPACN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2)ccn1
InChIInChI=1S/C26H20N2O2/c1-17-14-20(12-13-27-17)19-8-6-18(7-9-19)16-28-26(29)21-10-11-23-22-4-2-3-5-24(22)30-25(23)15-21/h2-15H,16H2,1H3,(H,28,29)
InChIKeyHCDPNFSQRKIPIJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.89
Rot. Bonds4

About N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide

N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide (PubChem CID 134150726) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide
PubChem CID134150726
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2)ccn1
InChIInChI=1S/C26H20N2O2/c1-17-14-20(12-13-27-17)19-8-6-18(7-9-19)16-28-26(29)21-10-11-23-22-4-2-3-5-24(22)30-25(23)15-21/h2-15H,16H2,1H3,(H,28,29)
InChIKeyHCDPNFSQRKIPIJ-UHFFFAOYSA-N
XLogP5.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
ROCK inhibitor-2
CID 51003130
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-4-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275494
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
4-(2-Benzofuranyl)pyridine
CID 65590
Inicarone
CID 65811
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide
CID 7677970
N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide
CID 7354608
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide?
The IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide (CID 134150726) is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide?
The canonical SMILES for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide is Cc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2)ccn1.
What is the InChIKey of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide?
The InChIKey is HCDPNFSQRKIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-17-14-20(12-13-27-17)19-8-6-18(7-9-19)16-28-26(29)21-10-11-23-22-4-2-3-5-24(22)30-25(23)15-21/h2-15H,16H2,1H3,(H,28,29).
What are the key properties of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide?
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide is sourced from PubChem (CID 134150726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).