(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide

C16H19N3O2 — CID 119872275

IUPAC(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-2-14(17)16(20)19-11-12-8-9-15(18-10-12)21-13-6-4-3-5-7-13/h3-10,14H,2,11,17H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyOFURCUNVSPCXIN-AWEZNQCLSA-N
MW285.35 g/mol
LogP2.23
Rot. Bonds6

About (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide

(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide (PubChem CID 119872275) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
PubChem CID119872275
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-2-14(17)16(20)19-11-12-8-9-15(18-10-12)21-13-6-4-3-5-7-13/h3-10,14H,2,11,17H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyOFURCUNVSPCXIN-AWEZNQCLSA-N
XLogP2.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide (CID 119872275) is (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide is CC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide?
The InChIKey is OFURCUNVSPCXIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-14(17)16(20)19-11-12-8-9-15(18-10-12)21-13-6-4-3-5-7-13/h3-10,14H,2,11,17H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide?
(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide has a molecular weight of 285.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 119872275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).