(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide

C16H26N4O — CID 119855700

IUPAC(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-12(2)10-14(17)16(21)19-15-7-6-13(11-18-15)20-8-4-3-5-9-20/h6-7,11-12,14H,3-5,8-10,17H2,1-2H3,(H,18,19,21)/t14-/m0/s1
InChIKeyAERLDFQAQSIKNT-AWEZNQCLSA-N
MW290.41 g/mol
LogP2.38
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide

(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide (PubChem CID 119855700) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
PubChem CID119855700
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-12(2)10-14(17)16(21)19-15-7-6-13(11-18-15)20-8-4-3-5-9-20/h6-7,11-12,14H,3-5,8-10,17H2,1-2H3,(H,18,19,21)/t14-/m0/s1
InChIKeyAERLDFQAQSIKNT-AWEZNQCLSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide (CID 119855700) is (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide?
The InChIKey is AERLDFQAQSIKNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)10-14(17)16(21)19-15-7-6-13(11-18-15)20-8-4-3-5-9-20/h6-7,11-12,14H,3-5,8-10,17H2,1-2H3,(H,18,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide?
(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide has a molecular weight of 290.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide is sourced from PubChem (CID 119855700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).