7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide

C21H24N4O — CID 123910750

IUPAC7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
SMILESNC(=O)C1=NCCc2ccc(-c3cncc(CN4CCCCC4)c3)cc21
InChIInChI=1S/C21H24N4O/c22-21(26)20-19-11-17(5-4-16(19)6-7-24-20)18-10-15(12-23-13-18)14-25-8-2-1-3-9-25/h4-5,10-13H,1-3,6-9,14H2,(H2,22,26)
InChIKeyJXBDTMZIYKNJKY-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.57
Rot. Bonds4

About 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide

7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide (PubChem CID 123910750) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
PubChem CID123910750
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
SMILESNC(=O)C1=NCCc2ccc(-c3cncc(CN4CCCCC4)c3)cc21
InChIInChI=1S/C21H24N4O/c22-21(26)20-19-11-17(5-4-16(19)6-7-24-20)18-10-15(12-23-13-18)14-25-8-2-1-3-9-25/h4-5,10-13H,1-3,6-9,14H2,(H2,22,26)
InChIKeyJXBDTMZIYKNJKY-UHFFFAOYSA-N
XLogP2.57
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-1H-pyridin-3-yl)-7-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
CID 134460540
N-[6-[(dimethylamino)methyl]-3-pyridinyl]-8-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123622589
7-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-3,4-dihydroisoquinoline-1-carboxamide
CID 134460546
N-(2-aminopyrimidin-5-yl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 142333803
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123732791
1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
CID 175327408
1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
CID 118383862
8-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123745278
8-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123312853
N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-8-(5-piperidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 144555379
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383

Frequently Asked Questions

What is the IUPAC name of 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide (CID 123910750) is 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide is NC(=O)C1=NCCc2ccc(-c3cncc(CN4CCCCC4)c3)cc21.
What is the InChIKey of 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is JXBDTMZIYKNJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-21(26)20-19-11-17(5-4-16(19)6-7-24-20)18-10-15(12-23-13-18)14-25-8-2-1-3-9-25/h4-5,10-13H,1-3,6-9,14H2,(H2,22,26).
What are the key properties of 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide?
7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 123910750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).