3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one

C14H18N4O2 — CID 90261455

IUPAC3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one
SMILESCC[C@@H](CO)Nc1cccc(-c2c[nH]c(=O)c(N)c2)n1
InChIInChI=1S/C14H18N4O2/c1-2-10(8-19)17-13-5-3-4-12(18-13)9-6-11(15)14(20)16-7-9/h3-7,10,19H,2,8,15H2,1H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKeyQORCDYYOFRALKC-JTQLQIEISA-N
MW274.32 g/mol
LogP1.20
Rot. Bonds5

About 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one

3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 90261455) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one
PubChem CID90261455
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one
SMILESCC[C@@H](CO)Nc1cccc(-c2c[nH]c(=O)c(N)c2)n1
InChIInChI=1S/C14H18N4O2/c1-2-10(8-19)17-13-5-3-4-12(18-13)9-6-11(15)14(20)16-7-9/h3-7,10,19H,2,8,15H2,1H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKeyQORCDYYOFRALKC-JTQLQIEISA-N
XLogP1.20
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one (CID 90261455) is 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one is CC[C@@H](CO)Nc1cccc(-c2c[nH]c(=O)c(N)c2)n1.
What is the InChIKey of 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is QORCDYYOFRALKC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10(8-19)17-13-5-3-4-12(18-13)9-6-11(15)14(20)16-7-9/h3-7,10,19H,2,8,15H2,1H3,(H,16,20)(H,17,18)/t10-/m0/s1.
What are the key properties of 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one?
3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 90261455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).