(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide

C19H23N3O3 — CID 119881938

IUPAC(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H23N3O3/c1-12(2)10-14(20)19(23)22-18-5-3-4-15(21-18)13-6-7-16-17(11-13)25-9-8-24-16/h3-7,11-12,14H,8-10,20H2,1-2H3,(H,21,22,23)/t14-/m0/s1
InChIKeyHRGPQSVNKOJGAW-AWEZNQCLSA-N
MW341.41 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide

(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide (PubChem CID 119881938) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
PubChem CID119881938
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H23N3O3/c1-12(2)10-14(20)19(23)22-18-5-3-4-15(21-18)13-6-7-16-17(11-13)25-9-8-24-16/h3-7,11-12,14H,8-10,20H2,1-2H3,(H,21,22,23)/t14-/m0/s1
InChIKeyHRGPQSVNKOJGAW-AWEZNQCLSA-N
XLogP2.83
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3,3-dimethylbutanamide
CID 119881910
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119881915
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
CID 167960960
4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
CID 120596723
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120800256
1-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154746744
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119881889
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
CID 104902736
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941450
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 86900283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide (CID 119881938) is (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide?
The InChIKey is HRGPQSVNKOJGAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)10-14(20)19(23)22-18-5-3-4-15(21-18)13-6-7-16-17(11-13)25-9-8-24-16/h3-7,11-12,14H,8-10,20H2,1-2H3,(H,21,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide?
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide has a molecular weight of 341.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 119881938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).