N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide

C12H19N3O2 — CID 129053563

IUPACN-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide
SMILESCCNc1cccc([C@@H](CO)NC(=O)CC)n1
InChIInChI=1S/C12H19N3O2/c1-3-12(17)15-10(8-16)9-6-5-7-11(14-9)13-4-2/h5-7,10,16H,3-4,8H2,1-2H3,(H,13,14)(H,15,17)/t10-/m1/s1
InChIKeyCIJLIVZGXLNNMQ-SNVBAGLBSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds6

About N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide

N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide (PubChem CID 129053563) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide
PubChem CID129053563
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide
SMILESCCNc1cccc([C@@H](CO)NC(=O)CC)n1
InChIInChI=1S/C12H19N3O2/c1-3-12(17)15-10(8-16)9-6-5-7-11(14-9)13-4-2/h5-7,10,16H,3-4,8H2,1-2H3,(H,13,14)(H,15,17)/t10-/m1/s1
InChIKeyCIJLIVZGXLNNMQ-SNVBAGLBSA-N
XLogP1.07
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The IUPAC name of N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide (CID 129053563) is N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide.
What is the SMILES notation for N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The canonical SMILES for N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide is CCNc1cccc([C@@H](CO)NC(=O)CC)n1.
What is the InChIKey of N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The InChIKey is CIJLIVZGXLNNMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-12(17)15-10(8-16)9-6-5-7-11(14-9)13-4-2/h5-7,10,16H,3-4,8H2,1-2H3,(H,13,14)(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(ethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide is sourced from PubChem (CID 129053563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).