N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide

C26H23N3O4 — CID 51686578

IUPACN-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1N(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1ccco1
InChIInChI=1S/C26H23N3O4/c1-32-22-14-6-5-13-21(22)29(26(31)20-12-7-8-16-27-20)24(23-15-9-17-33-23)25(30)28-18-19-10-3-2-4-11-19/h2-17,24H,18H2,1H3,(H,28,30)/t24-/m0/s1
InChIKeyPFTSEMBVQCBRMU-DEOSSOPVSA-N
MW441.49 g/mol
LogP4.39
Rot. Bonds8

About N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide

N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 51686578) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID51686578
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1N(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1ccco1
InChIInChI=1S/C26H23N3O4/c1-32-22-14-6-5-13-21(22)29(26(31)20-12-7-8-16-27-20)24(23-15-9-17-33-23)25(30)28-18-19-10-3-2-4-11-19/h2-17,24H,18H2,1H3,(H,28,30)/t24-/m0/s1
InChIKeyPFTSEMBVQCBRMU-DEOSSOPVSA-N
XLogP4.39
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 43811688
N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzamide
CID 6551039
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1466064
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 43813426
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-2-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211377
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 51552847
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452336
N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221752
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 51687295
N-[(1S)-2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 40652149
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 647109
N-[2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-phenylpyrazine-2-carboxamide
CID 3188494

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide (CID 51686578) is N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide is COc1ccccc1N(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1ccco1.
What is the InChIKey of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is PFTSEMBVQCBRMU-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-32-22-14-6-5-13-21(22)29(26(31)20-12-7-8-16-27-20)24(23-15-9-17-33-23)25(30)28-18-19-10-3-2-4-11-19/h2-17,24H,18H2,1H3,(H,28,30)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 51686578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).