2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide

C12H15N3O2 — CID 43114033

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccc(OC)nc1
InChIInChI=1S/C12H15N3O2/c1-4-7-13-12(16)9(2)15-10-5-6-11(17-3)14-8-10/h1,5-6,8-9,15H,7H2,2-3H3,(H,13,16)
InChIKeyOVYXBZFPELUXAE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.64
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide

2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide (PubChem CID 43114033) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
PubChem CID43114033
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccc(OC)nc1
InChIInChI=1S/C12H15N3O2/c1-4-7-13-12(16)9(2)15-10-5-6-11(17-3)14-8-10/h1,5-6,8-9,15H,7H2,2-3H3,(H,13,16)
InChIKeyOVYXBZFPELUXAE-UHFFFAOYSA-N
XLogP0.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034
2-anilino-N-prop-2-ynylpropanamide
CID 43112793
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
CID 28884943
2-(4-phenylanilino)-N-prop-2-ynylpropanamide
CID 60720749
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide (CID 43114033) is 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Nc1ccc(OC)nc1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is OVYXBZFPELUXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-7-13-12(16)9(2)15-10-5-6-11(17-3)14-8-10/h1,5-6,8-9,15H,7H2,2-3H3,(H,13,16).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide?
2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43114033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).