4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid

C12H14N4O3 — CID 122092334

IUPAC4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccn2ccnc2c1
InChIInChI=1S/C12H14N4O3/c17-11(18)2-1-4-14-12(19)15-9-3-6-16-7-5-13-10(16)8-9/h3,5-8H,1-2,4H2,(H,17,18)(H2,14,15,19)
InChIKeyOLAGNHZEQISAFK-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.32
Rot. Bonds5

About 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid

4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid (PubChem CID 122092334) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid
PubChem CID122092334
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccn2ccnc2c1
InChIInChI=1S/C12H14N4O3/c17-11(18)2-1-4-14-12(19)15-9-3-6-16-7-5-13-10(16)8-9/h3,5-8H,1-2,4H2,(H,17,18)(H2,14,15,19)
InChIKeyOLAGNHZEQISAFK-UHFFFAOYSA-N
XLogP1.32
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
1-imidazo[1,2-a]pyridin-7-yl-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea
CID 138025169
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
CID 122088409
4-[(3,5-dihydroxyphenyl)carbamoylamino]butanoic acid
CID 108895385
4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530
4-[(3,4-dicyanophenyl)carbamoylamino]butanoic acid
CID 107792046
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821
6-[(2,3-dimethylquinoxalin-6-yl)carbamoylamino]hexanoic acid
CID 108885495
N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide
CID 72699350
1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea
CID 167754978

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid (CID 122092334) is 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid is O=C(O)CCCNC(=O)Nc1ccn2ccnc2c1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid?
The InChIKey is OLAGNHZEQISAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-11(18)2-1-4-14-12(19)15-9-3-6-16-7-5-13-10(16)8-9/h3,5-8H,1-2,4H2,(H,17,18)(H2,14,15,19).
What are the key properties of 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid?
4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 122092334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).