2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid

C14H14ClN3O3 — CID 107338885

IUPAC2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H14ClN3O3/c1-2-18-8-9(15)5-12(18)14(21)17-11-4-3-10(16-7-11)6-13(19)20/h3-5,7-8H,2,6H2,1H3,(H,17,21)(H,19,20)
InChIKeyDZRJTJZZCJGAEN-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.44
Rot. Bonds5

About 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338885) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338885
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H14ClN3O3/c1-2-18-8-9(15)5-12(18)14(21)17-11-4-3-10(16-7-11)6-13(19)20/h3-5,7-8H,2,6H2,1H3,(H,17,21)(H,19,20)
InChIKeyDZRJTJZZCJGAEN-UHFFFAOYSA-N
XLogP2.44
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid (CID 107338885) is 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid is CCn1cc(Cl)cc1C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is DZRJTJZZCJGAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-18-8-9(15)5-12(18)14(21)17-11-4-3-10(16-7-11)6-13(19)20/h3-5,7-8H,2,6H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 307.74 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).