N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide

C22H18ClN3O2 — CID 109098517

IUPACN-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C22H18ClN3O2/c23-17-8-3-4-9-18(17)25-21(27)19-10-5-11-20(24-19)22(28)26-13-12-15-6-1-2-7-16(15)14-26/h1-11H,12-14H2,(H,25,27)
InChIKeyHDZSFFOBWCNPCL-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.19
Rot. Bonds3

About N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide

N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide (PubChem CID 109098517) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
PubChem CID109098517
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C22H18ClN3O2/c23-17-8-3-4-9-18(17)25-21(27)19-10-5-11-20(24-19)22(28)26-13-12-15-6-1-2-7-16(15)14-26/h1-11H,12-14H2,(H,25,27)
InChIKeyHDZSFFOBWCNPCL-UHFFFAOYSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047922
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109098513
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
[6-(2-chloroanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350788
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109097816
[2-(2,3-dichloroanilino)pyrimidin-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109259719
3,4-dihydro-1H-isoquinolin-2-yl-[6-(ethylamino)-2-pyridinyl]methanone
CID 62238754
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096766
[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58211024

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide (CID 109098517) is N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide is O=C(Nc1ccccc1Cl)c1cccc(C(=O)N2CCc3ccccc3C2)n1.
What is the InChIKey of N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
The InChIKey is HDZSFFOBWCNPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-17-8-3-4-9-18(17)25-21(27)19-10-5-11-20(24-19)22(28)26-13-12-15-6-1-2-7-16(15)14-26/h1-11H,12-14H2,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109098517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).