N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide

C26H26FN5O2 — CID 123732791

IUPACN-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
SMILESO=C(Nc1cncc(F)c1)C1=NCCCc2ccc(-c3cncc(CN4CCOCC4)c3)cc21
InChIInChI=1S/C26H26FN5O2/c27-22-12-23(16-29-15-22)31-26(33)25-24-11-20(4-3-19(24)2-1-5-30-25)21-10-18(13-28-14-21)17-32-6-8-34-9-7-32/h3-4,10-16H,1-2,5-9,17H2,(H,31,33)
InChIKeyNLFHNSROCPMKRZ-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.49
Rot. Bonds5

About N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide

N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide (PubChem CID 123732791) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
PubChem CID123732791
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
SMILESO=C(Nc1cncc(F)c1)C1=NCCCc2ccc(-c3cncc(CN4CCOCC4)c3)cc21
InChIInChI=1S/C26H26FN5O2/c27-22-12-23(16-29-15-22)31-26(33)25-24-11-20(4-3-19(24)2-1-5-30-25)21-10-18(13-28-14-21)17-32-6-8-34-9-7-32/h3-4,10-16H,1-2,5-9,17H2,(H,31,33)
InChIKeyNLFHNSROCPMKRZ-UHFFFAOYSA-N
XLogP3.49
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-aminopyrimidin-5-yl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 142333803
N-[6-[(dimethylamino)methyl]-3-pyridinyl]-8-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123622589
N-(6-oxo-1H-pyridin-3-yl)-7-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
CID 134460540
8-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123745278
7-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-3,4-dihydroisoquinoline-1-carboxamide
CID 134460546
7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
CID 123910750
N-(3-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89459049
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
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451248
N-[5-[(dimethylamino)methyl]-3-pyridinyl]-3,4-dimethyl-7-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
CID 123509649
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451050
3-(5-fluoro-3-pyridinyl)-1-[8-(5-phenoxy-3-pyridinyl)-4,5-dihydro-3H-2-benzazepin-1-yl]propan-1-one
CID 123294640

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide (CID 123732791) is N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide is O=C(Nc1cncc(F)c1)C1=NCCCc2ccc(-c3cncc(CN4CCOCC4)c3)cc21.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
The InChIKey is NLFHNSROCPMKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-22-12-23(16-29-15-22)31-26(33)25-24-11-20(4-3-19(24)2-1-5-30-25)21-10-18(13-28-14-21)17-32-6-8-34-9-7-32/h3-4,10-16H,1-2,5-9,17H2,(H,31,33).
What are the key properties of N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-8-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-4,5-dihydro-3H-2-benzazepine-1-carboxamide is sourced from PubChem (CID 123732791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).