2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide

C13H20N4O3 — CID 47023248

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC(C)C)cn1
InChIInChI=1S/C13H20N4O3/c1-8(2)15-13(19)17-12(18)9(3)16-10-5-6-11(20-4)14-7-10/h5-9,16H,1-4H3,(H2,15,17,18,19)
InChIKeyIYAAWECAJXNLMH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.12
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide

2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 47023248) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID47023248
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC(C)C)cn1
InChIInChI=1S/C13H20N4O3/c1-8(2)15-13(19)17-12(18)9(3)16-10-5-6-11(20-4)14-7-10/h5-9,16H,1-4H3,(H2,15,17,18,19)
InChIKeyIYAAWECAJXNLMH-UHFFFAOYSA-N
XLogP1.12
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
CID 43114033
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
CID 94641374
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 52511172
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309340
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide (CID 47023248) is 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide is COc1ccc(NC(C)C(=O)NC(=O)NC(C)C)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is IYAAWECAJXNLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(2)15-13(19)17-12(18)9(3)16-10-5-6-11(20-4)14-7-10/h5-9,16H,1-4H3,(H2,15,17,18,19).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide?
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 47023248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).