2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide

C23H30N4O4 — CID 139805149

IUPAC2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)O[C@@H](CN1CCC(CNC(=O)Cc3cccnc3N)CC1)CO2
InChIInChI=1S/C23H30N4O4/c1-29-18-4-5-20-21(12-18)31-19(15-30-20)14-27-9-6-16(7-10-27)13-26-22(28)11-17-3-2-8-25-23(17)24/h2-5,8,12,16,19H,6-7,9-11,13-15H2,1H3,(H2,24,25)(H,26,28)/t19-/m0/s1
InChIKeySJXBIRQGLNXVKT-IBGZPJMESA-N
MW426.52 g/mol
LogP1.88
Rot. Bonds7

About 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide

2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 139805149) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide
PubChem CID139805149
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)O[C@@H](CN1CCC(CNC(=O)Cc3cccnc3N)CC1)CO2
InChIInChI=1S/C23H30N4O4/c1-29-18-4-5-20-21(12-18)31-19(15-30-20)14-27-9-6-16(7-10-27)13-26-22(28)11-17-3-2-8-25-23(17)24/h2-5,8,12,16,19H,6-7,9-11,13-15H2,1H3,(H2,24,25)(H,26,28)/t19-/m0/s1
InChIKeySJXBIRQGLNXVKT-IBGZPJMESA-N
XLogP1.88
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[1-[[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 54180480
N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 131933195
2-amino-N-[[1-[[(3S)-5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 18391156
N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-2-(6-pyrrol-1-yl-3-pyridinyl)acetamide
CID 139805131
1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-methoxyphenyl)urea
CID 10741057
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydroxylamine
CID 88501320
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
CID 72887052
N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 21220987
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid
CID 154913539
3-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]pyridine-2,3-diamine
CID 138621719
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-quinolin-8-ylacetamide
CID 71879938

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide (CID 139805149) is 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide is COc1ccc2c(c1)O[C@@H](CN1CCC(CNC(=O)Cc3cccnc3N)CC1)CO2.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SJXBIRQGLNXVKT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N4O4/c1-29-18-4-5-20-21(12-18)31-19(15-30-20)14-27-9-6-16(7-10-27)13-26-22(28)11-17-3-2-8-25-23(17)24/h2-5,8,12,16,19H,6-7,9-11,13-15H2,1H3,(H2,24,25)(H,26,28)/t19-/m0/s1.
What are the key properties of 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 139805149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).