N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide

C20H23N3O3 — CID 97319750

IUPACN-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C20H23N3O3/c1-3-16(26-17-7-5-4-6-13(17)2)20(25)22-15-10-11-18(21-12-15)23-19(24)14-8-9-14/h4-7,10-12,14,16H,3,8-9H2,1-2H3,(H,22,25)(H,21,23,24)/t16-/m1/s1
InChIKeyRAOOXEXJBWPTFX-MRXNPFEDSA-N
MW353.42 g/mol
LogP3.53
Rot. Bonds7

About N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 97319750) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID97319750
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C20H23N3O3/c1-3-16(26-17-7-5-4-6-13(17)2)20(25)22-15-10-11-18(21-12-15)23-19(24)14-8-9-14/h4-7,10-12,14,16H,3,8-9H2,1-2H3,(H,22,25)(H,21,23,24)/t16-/m1/s1
InChIKeyRAOOXEXJBWPTFX-MRXNPFEDSA-N
XLogP3.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
CID 46771486
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
CID 132653358
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 91643425
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
CID 4949864
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 43885240

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide (CID 97319750) is N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide is CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is RAOOXEXJBWPTFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-16(26-17-7-5-4-6-13(17)2)20(25)22-15-10-11-18(21-12-15)23-19(24)14-8-9-14/h4-7,10-12,14,16H,3,8-9H2,1-2H3,(H,22,25)(H,21,23,24)/t16-/m1/s1.
What are the key properties of N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 97319750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).