(2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide

C17H20ClN3O2 — CID 134158347

IUPAC(2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)10-14(19)16(22)21-15-4-3-9-20-17(15)23-13-7-5-12(18)6-8-13/h3-9,11,14H,10,19H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyIKFMHUPUFIANPJ-AWEZNQCLSA-N
MW333.82 g/mol
LogP3.84
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide (PubChem CID 134158347) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide
PubChem CID134158347
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)10-14(19)16(22)21-15-4-3-9-20-17(15)23-13-7-5-12(18)6-8-13/h3-9,11,14H,10,19H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyIKFMHUPUFIANPJ-AWEZNQCLSA-N
XLogP3.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide (CID 134158347) is (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide?
The InChIKey is IKFMHUPUFIANPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(2)10-14(19)16(22)21-15-4-3-9-20-17(15)23-13-7-5-12(18)6-8-13/h3-9,11,14H,10,19H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide has a molecular weight of 333.82 g/mol, XLogP of 3.84, 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-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 134158347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).