N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide

C30H31N3O2 — CID 71453326

IUPACN-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide
SMILESCNC1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2ccc(-c3ccccc3)o2)CC1
InChIInChI=1S/C30H31N3O2/c1-31-26-10-12-27(13-11-26)33(21-22-6-5-9-25(20-22)23-16-18-32-19-17-23)30(34)29-15-14-28(35-29)24-7-3-2-4-8-24/h2-9,14-20,26-27,31H,10-13,21H2,1H3
InChIKeyAWYVJCVSAAZSKV-UHFFFAOYSA-N
MW465.60 g/mol
LogP6.18
Rot. Bonds7

About N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide

N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 71453326) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide
PubChem CID71453326
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide
SMILESCNC1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2ccc(-c3ccccc3)o2)CC1
InChIInChI=1S/C30H31N3O2/c1-31-26-10-12-27(13-11-26)33(21-22-6-5-9-25(20-22)23-16-18-32-19-17-23)30(34)29-15-14-28(35-29)24-7-3-2-4-8-24/h2-9,14-20,26-27,31H,10-13,21H2,1H3
InChIKeyAWYVJCVSAAZSKV-UHFFFAOYSA-N
XLogP6.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide (CID 71453326) is N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide is CNC1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2ccc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is AWYVJCVSAAZSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-31-26-10-12-27(13-11-26)33(21-22-6-5-9-25(20-22)23-16-18-32-19-17-23)30(34)29-15-14-28(35-29)24-7-3-2-4-8-24/h2-9,14-20,26-27,31H,10-13,21H2,1H3.
What are the key properties of N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide?
N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-5-phenyl-N-[(3-pyridin-4-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 71453326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).