2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid

C17H19N3O4 — CID 50959569

IUPAC2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid
SMILESCCOc1ncccc1CNC(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C17H19N3O4/c1-2-24-17-12(6-5-9-18-17)10-20-16(23)13-7-3-4-8-14(13)19-11-15(21)22/h3-9,19H,2,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZNDKZXNWPWQVEM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.91
Rot. Bonds8

About 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid

2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid (PubChem CID 50959569) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid
PubChem CID50959569
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid
SMILESCCOc1ncccc1CNC(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C17H19N3O4/c1-2-24-17-12(6-5-9-18-17)10-20-16(23)13-7-3-4-8-14(13)19-11-15(21)22/h3-9,19H,2,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZNDKZXNWPWQVEM-UHFFFAOYSA-N
XLogP1.91
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide
CID 74244365
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 38538666
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid?
The IUPAC name of 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid (CID 50959569) is 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid is CCOc1ncccc1CNC(=O)c1ccccc1NCC(=O)O.
What is the InChIKey of 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid?
The InChIKey is ZNDKZXNWPWQVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-24-17-12(6-5-9-18-17)10-20-16(23)13-7-3-4-8-14(13)19-11-15(21)22/h3-9,19H,2,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid?
2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid is sourced from PubChem (CID 50959569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).