N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide

C32H33N3O3 — CID 163391804

IUPACN-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C32H33N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2,4-5,8-11,14-23,25,30H,3,6-7,12-13H2,1H3,(H,34,36)/t23-,30?/m0/s1
InChIKeyPOPWPHIGQFWRDK-IHOKFDBFSA-N
MW507.63 g/mol
LogP6.99
Rot. Bonds8

About N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide

N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 163391804) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID163391804
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC NameN-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C32H33N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2,4-5,8-11,14-23,25,30H,3,6-7,12-13H2,1H3,(H,34,36)/t23-,30?/m0/s1
InChIKeyPOPWPHIGQFWRDK-IHOKFDBFSA-N
XLogP6.99
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
Furan-2-carboxamide deriv., 10
CID 44236897
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-02c6a514-32
CID 156906917
ALP-POS-02c6a514-44
CID 156906921
ALP-POS-b0bc6a46-5
CID 156906936
MAT-POS-f2460aef-4
CID 156907055

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 163391804) is N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide is C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is POPWPHIGQFWRDK-IHOKFDBFSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2,4-5,8-11,14-23,25,30H,3,6-7,12-13H2,1H3,(H,34,36)/t23-,30?/m0/s1.
What are the key properties of N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide?
N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 507.63 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 163391804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).