3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

C27H20F2N4O3 — CID 141313533

IUPAC3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCc2c(O)cccc2C1)c1ncccc1-c1c(F)cccc1F
InChIInChI=1S/C27H20F2N4O3/c28-20-6-2-7-21(29)24(20)19-5-3-11-31-25(19)26(35)32-22-14-30-12-9-18(22)27(36)33-13-10-17-16(15-33)4-1-8-23(17)34/h1-9,11-12,14,34H,10,13,15H2,(H,32,35)
InChIKeyDCYOMMANJKFDJN-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.58
Rot. Bonds4

About 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 141313533) has the molecular formula C27H20F2N4O3 and a molecular weight of 486.48 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID141313533
Molecular FormulaC27H20F2N4O3
Molecular Weight486.48 g/mol
Exact Mass486.15
IUPAC Name3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCc2c(O)cccc2C1)c1ncccc1-c1c(F)cccc1F
InChIInChI=1S/C27H20F2N4O3/c28-20-6-2-7-21(29)24(20)19-5-3-11-31-25(19)26(35)32-22-14-30-12-9-18(22)27(36)33-13-10-17-16(15-33)4-1-8-23(17)34/h1-9,11-12,14,34H,10,13,15H2,(H,32,35)
InChIKeyDCYOMMANJKFDJN-UHFFFAOYSA-N
XLogP4.58
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-quinolin-3-yl-methanone
CID 45268070
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178613
N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropicolinamide
CID 46179015
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179100
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179299
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 59226456
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 59226493
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 59226504
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 136194020
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 136194023
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 136194026
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 118722915

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (CID 141313533) is 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CCc2c(O)cccc2C1)c1ncccc1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is DCYOMMANJKFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O3/c28-20-6-2-7-21(29)24(20)19-5-3-11-31-25(19)26(35)32-22-14-30-12-9-18(22)27(36)33-13-10-17-16(15-33)4-1-8-23(17)34/h1-9,11-12,14,34H,10,13,15H2,(H,32,35).
What are the key properties of 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 141313533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).