5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide

C11H14N6O — CID 61358020

IUPAC5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCCn1ccnc1
InChIInChI=1S/C11H14N6O/c12-8-5-9(10(13)18)11(16-6-8)15-2-4-17-3-1-14-7-17/h1,3,5-7H,2,4,12H2,(H2,13,18)(H,15,16)
InChIKeyNIWJTVRUPIPDGO-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.07
Rot. Bonds5

About 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide

5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide (PubChem CID 61358020) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
PubChem CID61358020
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCCn1ccnc1
InChIInChI=1S/C11H14N6O/c12-8-5-9(10(13)18)11(16-6-8)15-2-4-17-3-1-14-7-17/h1,3,5-7H,2,4,12H2,(H2,13,18)(H,15,16)
InChIKeyNIWJTVRUPIPDGO-UHFFFAOYSA-N
XLogP0.07
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
CID 61357424
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
5-amino-2-(2-imidazol-1-ylethylamino)benzoic acid
CID 54951052
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
CID 114536234
5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
CID 106309000
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide (CID 61358020) is 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1NCCn1ccnc1.
What is the InChIKey of 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide?
The InChIKey is NIWJTVRUPIPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-8-5-9(10(13)18)11(16-6-8)15-2-4-17-3-1-14-7-17/h1,3,5-7H,2,4,12H2,(H2,13,18)(H,15,16).
What are the key properties of 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide?
5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 61358020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).