2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide

C16H25N3O2 — CID 79783476

IUPAC2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
SMILESCC(Oc1ccc(CNC(C)(C)C)nc1)C(=O)NC1CC1
InChIInChI=1S/C16H25N3O2/c1-11(15(20)19-12-5-6-12)21-14-8-7-13(17-10-14)9-18-16(2,3)4/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyYPMRQAKZGRKDHN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.02
Rot. Bonds6

About 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide

2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide (PubChem CID 79783476) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
PubChem CID79783476
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
SMILESCC(Oc1ccc(CNC(C)(C)C)nc1)C(=O)NC1CC1
InChIInChI=1S/C16H25N3O2/c1-11(15(20)19-12-5-6-12)21-14-8-7-13(17-10-14)9-18-16(2,3)4/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyYPMRQAKZGRKDHN-UHFFFAOYSA-N
XLogP2.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide (CID 79783476) is 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide is CC(Oc1ccc(CNC(C)(C)C)nc1)C(=O)NC1CC1.
What is the InChIKey of 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The InChIKey is YPMRQAKZGRKDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(15(20)19-12-5-6-12)21-14-8-7-13(17-10-14)9-18-16(2,3)4/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 79783476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).