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

C24H31N5O3 — CID 118584554

IUPAC2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1
InChIInChI=1S/C24H31N5O3/c1-17(30)29-10-7-21(8-11-29)27-23-12-18(6-9-25-23)24(32)26-13-22(31)16-28-14-19-4-2-3-5-20(19)15-28/h2-6,9,12,21-22,31H,7-8,10-11,13-16H2,1H3,(H,25,27)(H,26,32)/t22-/m0/s1
InChIKeyWTDVZIRQLIRLOL-QFIPXVFZSA-N
MW437.54 g/mol
LogP1.61
Rot. Bonds7

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

2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide (PubChem CID 118584554) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
PubChem CID118584554
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1
InChIInChI=1S/C24H31N5O3/c1-17(30)29-10-7-21(8-11-29)27-23-12-18(6-9-25-23)24(32)26-13-22(31)16-28-14-19-4-2-3-5-20(19)15-28/h2-6,9,12,21-22,31H,7-8,10-11,13-16H2,1H3,(H,25,27)(H,26,32)/t22-/m0/s1
InChIKeyWTDVZIRQLIRLOL-QFIPXVFZSA-N
XLogP1.61
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide (CID 118584554) is 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide is CC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The InChIKey is WTDVZIRQLIRLOL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17(30)29-10-7-21(8-11-29)27-23-12-18(6-9-25-23)24(32)26-13-22(31)16-28-14-19-4-2-3-5-20(19)15-28/h2-6,9,12,21-22,31H,7-8,10-11,13-16H2,1H3,(H,25,27)(H,26,32)/t22-/m0/s1.
What are the key properties of 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide is sourced from PubChem (CID 118584554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).