N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide

C34H38N4O2 — CID 123720268

IUPACN-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide
SMILESCN1C2CCCC1CC(Oc1ccc(C3=Nc4ccc(C(=O)NC(c5ccccn5)C5CCCC5)cc43)cc1)C2
InChIInChI=1S/C34H38N4O2/c1-38-25-9-6-10-26(38)21-28(20-25)40-27-15-12-23(13-16-27)32-29-19-24(14-17-30(29)36-32)34(39)37-33(22-7-2-3-8-22)31-11-4-5-18-35-31/h4-5,11-19,22,25-26,28,33H,2-3,6-10,20-21H2,1H3,(H,37,39)
InChIKeyDDCBEGAUBKVVSE-UHFFFAOYSA-N
MW534.70 g/mol
LogP6.62
Rot. Bonds7

About N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide

N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide (PubChem CID 123720268) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide
PubChem CID123720268
Molecular FormulaC34H38N4O2
Molecular Weight534.70 g/mol
Exact Mass534.30
IUPAC NameN-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide
SMILESCN1C2CCCC1CC(Oc1ccc(C3=Nc4ccc(C(=O)NC(c5ccccn5)C5CCCC5)cc43)cc1)C2
InChIInChI=1S/C34H38N4O2/c1-38-25-9-6-10-26(38)21-28(20-25)40-27-15-12-23(13-16-27)32-29-19-24(14-17-30(29)36-32)34(39)37-33(22-7-2-3-8-22)31-11-4-5-18-35-31/h4-5,11-19,22,25-26,28,33H,2-3,6-10,20-21H2,1H3,(H,37,39)
InChIKeyDDCBEGAUBKVVSE-UHFFFAOYSA-N
XLogP6.62
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide with MolForge

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Related Compounds

4-amino-N-[cyclobutyl(pyridin-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxybenzenecarboximidoyl]benzamide
CID 134567109
2-cyclopropyloxy-N-[cyclopropyl(pyridin-2-yl)methyl]benzamide
CID 138051363
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-[4-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 134562113
N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-1H-indazole-5-carboxamide
CID 123393878
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95899171
N-[cyclopentyl(pyridin-2-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71987070
N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 126626401
5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide
CID 95782721
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
CID 56713606
N-[cyclopropyl(phenyl)methyl]-3-[4-[(5-methyl-5-azatricyclo[4.2.0.01,4]octan-2-yl)oxy]phenyl]-1H-indazole-5-carboxamide
CID 123786779
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167230253

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide?
The IUPAC name of N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide (CID 123720268) is N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide.
What is the SMILES notation for N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide?
The canonical SMILES for N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide is CN1C2CCCC1CC(Oc1ccc(C3=Nc4ccc(C(=O)NC(c5ccccn5)C5CCCC5)cc43)cc1)C2.
What is the InChIKey of N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide?
The InChIKey is DDCBEGAUBKVVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O2/c1-38-25-9-6-10-26(38)21-28(20-25)40-27-15-12-23(13-16-27)32-29-19-24(14-17-30(29)36-32)34(39)37-33(22-7-2-3-8-22)31-11-4-5-18-35-31/h4-5,11-19,22,25-26,28,33H,2-3,6-10,20-21H2,1H3,(H,37,39).
What are the key properties of N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide?
N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide has a molecular weight of 534.70 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(pyridin-2-yl)methyl]-8-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxamide is sourced from PubChem (CID 123720268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).