2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride

C17H21Cl2N3O2 — CID 119881833

IUPAC2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.Cl.Cl
InChIInChI=1S/C17H19N3O2.2ClH/c1-17(2,18)16(21)20-15-5-3-4-13(19-15)11-6-7-14-12(10-11)8-9-22-14;;/h3-7,10H,8-9,18H2,1-2H3,(H,19,20,21);2*1H
InChIKeyMNCRWVGGOHZYOO-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.20
Rot. Bonds3

About 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride

2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride (PubChem CID 119881833) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
PubChem CID119881833
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.Cl.Cl
InChIInChI=1S/C17H19N3O2.2ClH/c1-17(2,18)16(21)20-15-5-3-4-13(19-15)11-6-7-14-12(10-11)8-9-22-14;;/h3-7,10H,8-9,18H2,1-2H3,(H,19,20,21);2*1H
InChIKeyMNCRWVGGOHZYOO-UHFFFAOYSA-N
XLogP3.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120800256
(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941445
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120646550
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide
CID 167958842
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3,3-dimethylbutanamide
CID 119881910
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119699067
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119881915
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
CID 119881938
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
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride (CID 119881833) is 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride is CC(C)(N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.Cl.Cl.
What is the InChIKey of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride?
The InChIKey is MNCRWVGGOHZYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.2ClH/c1-17(2,18)16(21)20-15-5-3-4-13(19-15)11-6-7-14-12(10-11)8-9-22-14;;/h3-7,10H,8-9,18H2,1-2H3,(H,19,20,21);2*1H.
What are the key properties of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride?
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119881833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).