N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C23H28N4O3 — CID 90290861

IUPACN-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNC(CNC(=O)C1COc2ccccc21)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C23H28N4O3/c24-20(13-26-23(29)19-14-30-21-4-2-1-3-18(19)21)15-5-7-16(8-6-15)22(28)27-17-9-11-25-12-10-17/h1-4,9-12,15-16,19-20H,5-8,13-14,24H2,(H,26,29)(H,25,27,28)
InChIKeyJMZZUCQXAFNPRW-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.45
Rot. Bonds6

About N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 90290861) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID90290861
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNC(CNC(=O)C1COc2ccccc21)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C23H28N4O3/c24-20(13-26-23(29)19-14-30-21-4-2-1-3-18(19)21)15-5-7-16(8-6-15)22(28)27-17-9-11-25-12-10-17/h1-4,9-12,15-16,19-20H,5-8,13-14,24H2,(H,26,29)(H,25,27,28)
InChIKeyJMZZUCQXAFNPRW-UHFFFAOYSA-N
XLogP2.45
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

4-[1-amino-2-(2,3-dihydro-1-benzofuran-3-ylamino)-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290908
4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 86762901
methyl 2-bromo-3-(2,3-dihydro-1-benzofuran-3-carbonylamino)propanoate
CID 103492669
(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96518342
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95625892
2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
CID 115150952
N-(2-bromo-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107156608
(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96538964
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 90290861) is N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is NC(CNC(=O)C1COc2ccccc21)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is JMZZUCQXAFNPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c24-20(13-26-23(29)19-14-30-21-4-2-1-3-18(19)21)15-5-7-16(8-6-15)22(28)27-17-9-11-25-12-10-17/h1-4,9-12,15-16,19-20H,5-8,13-14,24H2,(H,26,29)(H,25,27,28).
What are the key properties of N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 90290861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).