(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide

C12H17N3O2 — CID 99776072

IUPAC(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C12H17N3O2/c1-8(17-7-9-2-3-9)12(16)15-10-4-5-11(13)14-6-10/h4-6,8-9H,2-3,7H2,1H3,(H2,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFFTYCGCRJZLRFJ-QMMMGPOBSA-N
MW235.29 g/mol
LogP1.42
Rot. Bonds5

About (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide

(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide (PubChem CID 99776072) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
PubChem CID99776072
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C12H17N3O2/c1-8(17-7-9-2-3-9)12(16)15-10-4-5-11(13)14-6-10/h4-6,8-9H,2-3,7H2,1H3,(H2,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFFTYCGCRJZLRFJ-QMMMGPOBSA-N
XLogP1.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide (CID 99776072) is (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide is C[C@H](OCC1CC1)C(=O)Nc1ccc(N)nc1.
What is the InChIKey of (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide?
The InChIKey is FFTYCGCRJZLRFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(17-7-9-2-3-9)12(16)15-10-4-5-11(13)14-6-10/h4-6,8-9H,2-3,7H2,1H3,(H2,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide?
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide has a molecular weight of 235.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 99776072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).