N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C26H22FN3O3 — CID 1466064

IUPACN-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C26H22FN3O3/c27-21-13-11-20(12-14-21)24(25(31)29-17-19-7-2-1-3-8-19)30(18-22-9-6-16-33-22)26(32)23-10-4-5-15-28-23/h1-16,24H,17-18H2,(H,29,31)/t24-/m1/s1
InChIKeyBWMHZOCFCQOHJB-XMMPIXPASA-N
MW443.48 g/mol
LogP4.51
Rot. Bonds8

About N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 1466064) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID1466064
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC NameN-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C26H22FN3O3/c27-21-13-11-20(12-14-21)24(25(31)29-17-19-7-2-1-3-8-19)30(18-22-9-6-16-33-22)26(32)23-10-4-5-15-28-23/h1-16,24H,17-18H2,(H,29,31)/t24-/m1/s1
InChIKeyBWMHZOCFCQOHJB-XMMPIXPASA-N
XLogP4.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 3188503
N-[(1S)-2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 40652149
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 3191378
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 1463436
N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 51686529
N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316221
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 110373543
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 51686578
N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 3823696
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 3216656
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434676
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238309

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 1466064) is N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccccn1.
What is the InChIKey of N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BWMHZOCFCQOHJB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H22FN3O3/c27-21-13-11-20(12-14-21)24(25(31)29-17-19-7-2-1-3-8-19)30(18-22-9-6-16-33-22)26(32)23-10-4-5-15-28-23/h1-16,24H,17-18H2,(H,29,31)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 1466064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).