2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide

C25H32N4O3 — CID 157316700

IUPAC2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ccn2)CC1
InChIInChI=1S/C25H32N4O3/c1-18(30)28-11-7-19(8-12-28)14-22-15-21(6-10-26-22)25(32)27-16-23(31)17-29-13-9-20-4-2-3-5-24(20)29/h2-6,10,15,19,23,31H,7-9,11-14,16-17H2,1H3,(H,27,32)/t23-/m0/s1
InChIKeyBDRHFIQCNJFEMN-QHCPKHFHSA-N
MW436.56 g/mol
LogP2.04
Rot. Bonds7

About 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide

2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide (PubChem CID 157316700) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide
PubChem CID157316700
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ccn2)CC1
InChIInChI=1S/C25H32N4O3/c1-18(30)28-11-7-19(8-12-28)14-22-15-21(6-10-26-22)25(32)27-16-23(31)17-29-13-9-20-4-2-3-5-24(20)29/h2-6,10,15,19,23,31H,7-9,11-14,16-17H2,1H3,(H,27,32)/t23-/m0/s1
InChIKeyBDRHFIQCNJFEMN-QHCPKHFHSA-N
XLogP2.04
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyridine-4-carboxamide
CID 149112027
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 152996960
3-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide
CID 157346985
3-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide
CID 148532900
2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-[5-chloro-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropyl]pyridine-4-carboxamide
CID 159434820
N-[(2S)-2-hydroxy-3-[6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[(1-propanoylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 158450710
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 146253808
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-4-carboxamide
CID 153036194
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-2-hydroxy-3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
CID 158465715
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide
CID 147382402
2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 158892245

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide (CID 157316700) is 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide is CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ccn2)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The InChIKey is BDRHFIQCNJFEMN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18(30)28-11-7-19(8-12-28)14-22-15-21(6-10-26-22)25(32)27-16-23(31)17-29-13-9-20-4-2-3-5-24(20)29/h2-6,10,15,19,23,31H,7-9,11-14,16-17H2,1H3,(H,27,32)/t23-/m0/s1.
What are the key properties of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide is sourced from PubChem (CID 157316700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).