2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide

C22H28N4O3 — CID 91403098

IUPAC2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide
SMILESNC(=O)c1c(C2CCCNC2)cc(Cc2c(O)cccc2OCC2CC2)nc1N
InChIInChI=1S/C22H28N4O3/c23-21-20(22(24)28)16(14-3-2-8-25-11-14)9-15(26-21)10-17-18(27)4-1-5-19(17)29-12-13-6-7-13/h1,4-5,9,13-14,25,27H,2-3,6-8,10-12H2,(H2,23,26)(H2,24,28)
InChIKeyLGQVYXIOTCYYEA-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.31
Rot. Bonds7

About 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide

2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide (PubChem CID 91403098) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide
PubChem CID91403098
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide
SMILESNC(=O)c1c(C2CCCNC2)cc(Cc2c(O)cccc2OCC2CC2)nc1N
InChIInChI=1S/C22H28N4O3/c23-21-20(22(24)28)16(14-3-2-8-25-11-14)9-15(26-21)10-17-18(27)4-1-5-19(17)29-12-13-6-7-13/h1,4-5,9,13-14,25,27H,2-3,6-8,10-12H2,(H2,23,26)(H2,24,28)
InChIKeyLGQVYXIOTCYYEA-UHFFFAOYSA-N
XLogP2.31
TPSA123.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
CID 142686934
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide
CID 135453449
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;ethane
CID 142804159
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1H-1,8-naphthyridine-3-carbonitrile;hydrochloride
CID 162335678
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
CID 135453352
N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide
CID 135469661
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
CID 157188587
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
CID 135618266
2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
CID 135550596
3-[(4-tert-butylphenyl)methoxy]-2-(5,6-diamino-4-piperidin-3-yl-2-pyridinyl)phenol
CID 136634040
6-(piperidin-3-ylmethoxy)pyridine-2-carboxamide
CID 64589412

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide (CID 91403098) is 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide is NC(=O)c1c(C2CCCNC2)cc(Cc2c(O)cccc2OCC2CC2)nc1N.
What is the InChIKey of 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide?
The InChIKey is LGQVYXIOTCYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c23-21-20(22(24)28)16(14-3-2-8-25-11-14)9-15(26-21)10-17-18(27)4-1-5-19(17)29-12-13-6-7-13/h1,4-5,9,13-14,25,27H,2-3,6-8,10-12H2,(H2,23,26)(H2,24,28).
What are the key properties of 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide?
2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 91403098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).