5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide

C12H16N6O — CID 61479644

IUPAC5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
SMILESCC(Cn1ccnc1)Nc1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H16N6O/c1-8(6-18-3-2-15-7-18)17-12-10(11(14)19)4-9(13)5-16-12/h2-5,7-8H,6,13H2,1H3,(H2,14,19)(H,16,17)
InChIKeyXKCHTMCBEZKDLG-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.46
Rot. Bonds5

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

5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide (PubChem CID 61479644) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
PubChem CID61479644
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
SMILESCC(Cn1ccnc1)Nc1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H16N6O/c1-8(6-18-3-2-15-7-18)17-12-10(11(14)19)4-9(13)5-16-12/h2-5,7-8H,6,13H2,1H3,(H2,14,19)(H,16,17)
InChIKeyXKCHTMCBEZKDLG-UHFFFAOYSA-N
XLogP0.46
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
CID 107195013
5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
CID 61358020
5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
CID 61357424
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 83177593
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine
CID 65337116
5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide
CID 54950472
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79727326
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
CID 83266216

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide (CID 61479644) is 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide is CC(Cn1ccnc1)Nc1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is XKCHTMCBEZKDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(6-18-3-2-15-7-18)17-12-10(11(14)19)4-9(13)5-16-12/h2-5,7-8H,6,13H2,1H3,(H2,14,19)(H,16,17).
What are the key properties of 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide?
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 61479644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).