(6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide

C19H18Cl2F2N4O — CID 130410453

IUPAC(6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1C2CC[C@@H]1CCN(c1c(Cl)cncc1Cl)C2
InChIInChI=1S/C19H18Cl2F2N4O/c20-14-8-24-9-15(21)18(14)26-6-5-12-2-3-13(10-26)27(12)19(28)25-11-1-4-16(22)17(23)7-11/h1,4,7-9,12-13H,2-3,5-6,10H2,(H,25,28)/t12-,13?/m1/s1
InChIKeyMMYHNZZCMGIGHR-PZORYLMUSA-N
MW427.28 g/mol
LogP4.94
Rot. Bonds2

About (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide

(6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide (PubChem CID 130410453) has the molecular formula C19H18Cl2F2N4O and a molecular weight of 427.28 g/mol. Its IUPAC name is (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
PubChem CID130410453
Molecular FormulaC19H18Cl2F2N4O
Molecular Weight427.28 g/mol
Exact Mass426.08
IUPAC Name(6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1C2CC[C@@H]1CCN(c1c(Cl)cncc1Cl)C2
InChIInChI=1S/C19H18Cl2F2N4O/c20-14-8-24-9-15(21)18(14)26-6-5-12-2-3-13(10-26)27(12)19(28)25-11-1-4-16(22)17(23)7-11/h1,4,7-9,12-13H,2-3,5-6,10H2,(H,25,28)/t12-,13?/m1/s1
InChIKeyMMYHNZZCMGIGHR-PZORYLMUSA-N
XLogP4.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-7-methyl-1,4-diazepane-1-carboxamide
CID 118068249
N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 118068244
1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(3,5-dichloro-4-pyridinyl)piperidin-3-yl]urea
CID 134359756
(2R)-N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-2-propan-2-yl-1,4-diazepane-1-carboxamide
CID 118068251
4-(3,5-dichloro-4-pyridinyl)-N-(3-fluoro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 118326998
4-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 118068211
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
N-(3,4-dichlorophenyl)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 168862600
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
1-[(1R,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]-3-(3,4-difluorophenyl)urea
CID 134359560
4-[3-chloro-5-(cyclopropylmethyl)-4-pyridinyl]-N-(3-chloro-4-fluorophenyl)-1,4-diazepane-1-carboxamide
CID 118068271

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The IUPAC name of (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide (CID 130410453) is (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide.
What is the SMILES notation for (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The canonical SMILES for (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1C2CC[C@@H]1CCN(c1c(Cl)cncc1Cl)C2.
What is the InChIKey of (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The InChIKey is MMYHNZZCMGIGHR-PZORYLMUSA-N. The full InChI is InChI=1S/C19H18Cl2F2N4O/c20-14-8-24-9-15(21)18(14)26-6-5-12-2-3-13(10-26)27(12)19(28)25-11-1-4-16(22)17(23)7-11/h1,4,7-9,12-13H,2-3,5-6,10H2,(H,25,28)/t12-,13?/m1/s1.
What are the key properties of (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
(6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide has a molecular weight of 427.28 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(3,5-dichloro-4-pyridinyl)-N-(3,4-difluorophenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide is sourced from PubChem (CID 130410453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).