N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide

C14H17N5O2 — CID 95131886

IUPACN-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide
SMILESC[C@@H](CNCC(=O)Nc1cnccn1)Oc1cccnc1
InChIInChI=1S/C14H17N5O2/c1-11(21-12-3-2-4-15-8-12)7-17-10-14(20)19-13-9-16-5-6-18-13/h2-6,8-9,11,17H,7,10H2,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyBJIIJZLHKBOQPD-NSHDSACASA-N
MW287.32 g/mol
LogP0.87
Rot. Bonds7

About N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide

N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide (PubChem CID 95131886) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide
PubChem CID95131886
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide
SMILESC[C@@H](CNCC(=O)Nc1cnccn1)Oc1cccnc1
InChIInChI=1S/C14H17N5O2/c1-11(21-12-3-2-4-15-8-12)7-17-10-14(20)19-13-9-16-5-6-18-13/h2-6,8-9,11,17H,7,10H2,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyBJIIJZLHKBOQPD-NSHDSACASA-N
XLogP0.87
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide?
The IUPAC name of N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide (CID 95131886) is N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide.
What is the SMILES notation for N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide?
The canonical SMILES for N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide is C[C@@H](CNCC(=O)Nc1cnccn1)Oc1cccnc1.
What is the InChIKey of N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide?
The InChIKey is BJIIJZLHKBOQPD-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-11(21-12-3-2-4-15-8-12)7-17-10-14(20)19-13-9-16-5-6-18-13/h2-6,8-9,11,17H,7,10H2,1H3,(H,18,19,20)/t11-/m0/s1.
What are the key properties of N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide?
N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide is sourced from PubChem (CID 95131886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).