N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide

C26H30N4O4 — CID 25317846

IUPACN-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1
InChIInChI=1S/C26H30N4O4/c1-5-18-8-10-20(11-9-18)30(22(31)17-28-24(32)21-7-6-16-34-21)23(19-12-14-27-15-13-19)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33)/t23-/m1/s1
InChIKeyVPSTZLKUUHAJBF-HSZRJFAPSA-N
MW462.55 g/mol
LogP3.66
Rot. Bonds8

About N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 25317846) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID25317846
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1
InChIInChI=1S/C26H30N4O4/c1-5-18-8-10-20(11-9-18)30(22(31)17-28-24(32)21-7-6-16-34-21)23(19-12-14-27-15-13-19)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33)/t23-/m1/s1
InChIKeyVPSTZLKUUHAJBF-HSZRJFAPSA-N
XLogP3.66
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 25317856
N-[2-[4-[(2S)-butan-2-yl]-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]anilino]-2-oxoethyl]furan-2-carboxamide
CID 25316748
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 7145165
N-[2-(4-ethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 25316011
N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-2,3-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 25316725
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211839
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3215519
N-[2-[[(1R)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315036
N-[2-[[(1S)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 25315033
N-(4-butan-2-ylphenyl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 46897842
N-[2-(4-fluoro-N-[2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3215302

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide (CID 25317846) is N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide is CCc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1.
What is the InChIKey of N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VPSTZLKUUHAJBF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-5-18-8-10-20(11-9-18)30(22(31)17-28-24(32)21-7-6-16-34-21)23(19-12-14-27-15-13-19)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33)/t23-/m1/s1.
What are the key properties of N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 25317846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).