N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide

C27H24F2N4O3 — CID 52917561

IUPACN-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCN(C(=O)Cc4c(F)cccc4F)CC3)nc2)oc2ccccc12
InChIInChI=1S/C27H24F2N4O3/c1-17-19-5-2-3-8-23(19)36-26(17)27(35)31-18-9-10-24(30-16-18)32-11-13-33(14-12-32)25(34)15-20-21(28)6-4-7-22(20)29/h2-10,16H,11-15H2,1H3,(H,31,35)
InChIKeyMCBWZFZDGKWQGL-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.56
Rot. Bonds5

About N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide

N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 52917561) has the molecular formula C27H24F2N4O3 and a molecular weight of 490.51 g/mol. Its IUPAC name is N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID52917561
Molecular FormulaC27H24F2N4O3
Molecular Weight490.51 g/mol
Exact Mass490.18
IUPAC NameN-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCN(C(=O)Cc4c(F)cccc4F)CC3)nc2)oc2ccccc12
InChIInChI=1S/C27H24F2N4O3/c1-17-19-5-2-3-8-23(19)36-26(17)27(35)31-18-9-10-24(30-16-18)32-11-13-33(14-12-32)25(34)15-20-21(28)6-4-7-22(20)29/h2-10,16H,11-15H2,1H3,(H,31,35)
InChIKeyMCBWZFZDGKWQGL-UHFFFAOYSA-N
XLogP4.56
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

Bradanicline
CID 25147644
Afn-1252
CID 10407120
Padnarsertib
CID 117779453
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658205
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763857
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
N-Methyl-N-[(3-Methyl-1-Benzofuran-2-Yl)methyl]-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)propanamide
CID 57576874
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
Furan-2-carboxylic acid [6-(2-methoxy-benzoylamino)-pyridin-3-yl]-amide
CID 1449289
Furan-2-carboxylic acid [5-(2-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452813

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide (CID 52917561) is N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)Cc4c(F)cccc4F)CC3)nc2)oc2ccccc12.
What is the InChIKey of N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MCBWZFZDGKWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O3/c1-17-19-5-2-3-8-23(19)36-26(17)27(35)31-18-9-10-24(30-16-18)32-11-13-33(14-12-32)25(34)15-20-21(28)6-4-7-22(20)29/h2-10,16H,11-15H2,1H3,(H,31,35).
What are the key properties of N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52917561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).