2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid

C14H11IN2O3 — CID 107338975

IUPAC2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccc(I)cc2)cn1
InChIInChI=1S/C14H11IN2O3/c15-10-3-1-9(2-4-10)14(20)17-12-6-5-11(16-8-12)7-13(18)19/h1-6,8H,7H2,(H,17,20)(H,18,19)
InChIKeyVQOUBQMSHKYFMO-UHFFFAOYSA-N
MW382.16 g/mol
LogP2.57
Rot. Bonds4

About 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid

2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338975) has the molecular formula C14H11IN2O3 and a molecular weight of 382.16 g/mol. Its IUPAC name is 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338975
Molecular FormulaC14H11IN2O3
Molecular Weight382.16 g/mol
Exact Mass381.98
IUPAC Name2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccc(I)cc2)cn1
InChIInChI=1S/C14H11IN2O3/c15-10-3-1-9(2-4-10)14(20)17-12-6-5-11(16-8-12)7-13(18)19/h1-6,8H,7H2,(H,17,20)(H,18,19)
InChIKeyVQOUBQMSHKYFMO-UHFFFAOYSA-N
XLogP2.57
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-3-pyridinyl)-4-iodobenzamide
CID 55132398
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339418
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338354
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339395
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid (CID 107338975) is 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2ccc(I)cc2)cn1.
What is the InChIKey of 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is VQOUBQMSHKYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O3/c15-10-3-1-9(2-4-10)14(20)17-12-6-5-11(16-8-12)7-13(18)19/h1-6,8H,7H2,(H,17,20)(H,18,19).
What are the key properties of 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 382.16 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).