6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide

C22H28N4O — CID 56741978

IUPAC6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCCCC1CCNC(=O)c1ccc(N2Cc3ccccc3C2)nc1
InChIInChI=1S/C22H28N4O/c1-25-13-5-4-8-20(25)11-12-23-22(27)17-9-10-21(24-14-17)26-15-18-6-2-3-7-19(18)16-26/h2-3,6-7,9-10,14,20H,4-5,8,11-13,15-16H2,1H3,(H,23,27)
InChIKeyDOQPGNFHKMVKKQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.21
Rot. Bonds5

About 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide

6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 56741978) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID56741978
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCCCC1CCNC(=O)c1ccc(N2Cc3ccccc3C2)nc1
InChIInChI=1S/C22H28N4O/c1-25-13-5-4-8-20(25)11-12-23-22(27)17-9-10-21(24-14-17)26-15-18-6-2-3-7-19(18)16-26/h2-3,6-7,9-10,14,20H,4-5,8,11-13,15-16H2,1H3,(H,23,27)
InChIKeyDOQPGNFHKMVKKQ-UHFFFAOYSA-N
XLogP3.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25367128
6-(4-ethylpiperazin-1-yl)-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 28809620
6-(ethylamino)-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 25374156
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
6-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
CID 45199193
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126443787
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 28737751
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide (CID 56741978) is 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide is CN1CCCCC1CCNC(=O)c1ccc(N2Cc3ccccc3C2)nc1.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is DOQPGNFHKMVKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-25-13-5-4-8-20(25)11-12-23-22(27)17-9-10-21(24-14-17)26-15-18-6-2-3-7-19(18)16-26/h2-3,6-7,9-10,14,20H,4-5,8,11-13,15-16H2,1H3,(H,23,27).
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide?
6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 56741978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).