N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide

C28H37N3O2 — CID 57384673

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(CCN3CCC(c4cccc5c4CCO5)CC3)CC2)cn1
InChIInChI=1S/C28H37N3O2/c1-20-5-8-23(19-29-20)28(32)30-24-9-6-21(7-10-24)11-15-31-16-12-22(13-17-31)25-3-2-4-27-26(25)14-18-33-27/h2-5,8,19,21-22,24H,6-7,9-18H2,1H3,(H,30,32)
InChIKeyHHAWPWAQIRBXKW-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.88
Rot. Bonds6

About N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide (PubChem CID 57384673) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide
PubChem CID57384673
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(CCN3CCC(c4cccc5c4CCO5)CC3)CC2)cn1
InChIInChI=1S/C28H37N3O2/c1-20-5-8-23(19-29-20)28(32)30-24-9-6-21(7-10-24)11-15-31-16-12-22(13-17-31)25-3-2-4-27-26(25)14-18-33-27/h2-5,8,19,21-22,24H,6-7,9-18H2,1H3,(H,30,32)
InChIKeyHHAWPWAQIRBXKW-UHFFFAOYSA-N
XLogP4.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide (CID 57384673) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCC(CCN3CCC(c4cccc5c4CCO5)CC3)CC2)cn1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
The InChIKey is HHAWPWAQIRBXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-20-5-8-23(19-29-20)28(32)30-24-9-6-21(7-10-24)11-15-31-16-12-22(13-17-31)25-3-2-4-27-26(25)14-18-33-27/h2-5,8,19,21-22,24H,6-7,9-18H2,1H3,(H,30,32).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide has a molecular weight of 447.62 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 57384673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).