2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid

C19H15ClN2O4 — CID 72877931

IUPAC2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
SMILESCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C(C(=O)O)c1cccnc1
InChIInChI=1S/C19H15ClN2O4/c1-22(17(19(24)25)12-5-4-10-21-11-12)18(23)16-9-8-15(26-16)13-6-2-3-7-14(13)20/h2-11,17H,1H3,(H,24,25)
InChIKeyRFSISWUAUVBQHA-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.89
Rot. Bonds5

About 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid

2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid (PubChem CID 72877931) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
PubChem CID72877931
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
SMILESCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C(C(=O)O)c1cccnc1
InChIInChI=1S/C19H15ClN2O4/c1-22(17(19(24)25)12-5-4-10-21-11-12)18(23)16-9-8-15(26-16)13-6-2-3-7-14(13)20/h2-11,17H,1H3,(H,24,25)
InChIKeyRFSISWUAUVBQHA-UHFFFAOYSA-N
XLogP3.89
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 86978030
5-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388273
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627868
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
CID 63688516
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 70709024
(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid
CID 97285509

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid (CID 72877931) is 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid is CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C(C(=O)O)c1cccnc1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
The InChIKey is RFSISWUAUVBQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-22(17(19(24)25)12-5-4-10-21-11-12)18(23)16-9-8-15(26-16)13-6-2-3-7-14(13)20/h2-11,17H,1H3,(H,24,25).
What are the key properties of 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid?
2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid has a molecular weight of 370.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 72877931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).