1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide

C12H15N5O2 — CID 107499624

IUPAC1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cn(CCN)cn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-2-3-10(18)11(15-8)16-12(19)9-6-17(5-4-13)7-14-9/h2-3,6-7,18H,4-5,13H2,1H3,(H,15,16,19)
InChIKeyWZTOFYRELQKZNE-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.50
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 107499624) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID107499624
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cn(CCN)cn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-2-3-10(18)11(15-8)16-12(19)9-6-17(5-4-13)7-14-9/h2-3,6-7,18H,4-5,13H2,1H3,(H,15,16,19)
InChIKeyWZTOFYRELQKZNE-UHFFFAOYSA-N
XLogP0.50
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 107499624) is 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide is Cc1ccc(O)c(NC(=O)c2cn(CCN)cn2)n1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is WZTOFYRELQKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-2-3-10(18)11(15-8)16-12(19)9-6-17(5-4-13)7-14-9/h2-3,6-7,18H,4-5,13H2,1H3,(H,15,16,19).
What are the key properties of 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 107499624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).