6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane

C11H16N4O2 — CID 91263534

IUPAC6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1cccc(NC2=NCCN2)n1
InChIInChI=1S/C9H10N4O2.C2H6/c14-8(15)6-2-1-3-7(12-6)13-9-10-4-5-11-9;1-2/h1-3H,4-5H2,(H,14,15)(H2,10,11,12,13);1-2H3
InChIKeyGRRURNXTKKYUSO-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.18
Rot. Bonds2

About 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane

6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane (PubChem CID 91263534) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane
PubChem CID91263534
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1cccc(NC2=NCCN2)n1
InChIInChI=1S/C9H10N4O2.C2H6/c14-8(15)6-2-1-3-7(12-6)13-9-10-4-5-11-9;1-2/h1-3H,4-5H2,(H,14,15)(H2,10,11,12,13);1-2H3
InChIKeyGRRURNXTKKYUSO-UHFFFAOYSA-N
XLogP1.18
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid
CID 20619265
6-(4-acetamidoanilino)pyridine-2-carboxylic acid
CID 62255530
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
6-[(5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 62254475
6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
CID 64767181
6-(quinolin-5-ylamino)pyridine-2-carboxylic acid
CID 62253213
6-[(5-oxopyrrolidine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55248158
6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
CID 62254300
6-[(3-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 82827110

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane (CID 91263534) is 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane is CC.O=C(O)c1cccc(NC2=NCCN2)n1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane?
The InChIKey is GRRURNXTKKYUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2.C2H6/c14-8(15)6-2-1-3-7(12-6)13-9-10-4-5-11-9;1-2/h1-3H,4-5H2,(H,14,15)(H2,10,11,12,13);1-2H3.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane?
6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane has a molecular weight of 236.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 91263534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).