(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide

C26H30N2O2 — CID 99646705

IUPAC(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1cccc2c(NC(=O)C3[C@@H]4CCCC[C@@H]34)cccc12)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C26H30N2O2/c29-25(23-17-7-1-2-8-18(17)23)27-21-13-5-12-16-15(21)11-6-14-22(16)28-26(30)24-19-9-3-4-10-20(19)24/h5-6,11-14,17-20,23-24H,1-4,7-10H2,(H,27,29)(H,28,30)/t17-,18-,19-,20-/m1/s1
InChIKeyHUUNVNZQBWVCGT-UAFMIMERSA-N
MW402.54 g/mol
LogP5.59
Rot. Bonds4

About (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide

(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 99646705) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID99646705
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1cccc2c(NC(=O)C3[C@@H]4CCCC[C@@H]34)cccc12)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C26H30N2O2/c29-25(23-17-7-1-2-8-18(17)23)27-21-13-5-12-16-15(21)11-6-14-22(16)28-26(30)24-19-9-3-4-10-20(19)24/h5-6,11-14,17-20,23-24H,1-4,7-10H2,(H,27,29)(H,28,30)/t17-,18-,19-,20-/m1/s1
InChIKeyHUUNVNZQBWVCGT-UAFMIMERSA-N
XLogP5.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-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-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7271639
(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375079
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107800886
N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114003196
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide (CID 99646705) is (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1cccc2c(NC(=O)C3[C@@H]4CCCC[C@@H]34)cccc12)C1[C@@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is HUUNVNZQBWVCGT-UAFMIMERSA-N. The full InChI is InChI=1S/C26H30N2O2/c29-25(23-17-7-1-2-8-18(17)23)27-21-13-5-12-16-15(21)11-6-14-22(16)28-26(30)24-19-9-3-4-10-20(19)24/h5-6,11-14,17-20,23-24H,1-4,7-10H2,(H,27,29)(H,28,30)/t17-,18-,19-,20-/m1/s1.
What are the key properties of (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 99646705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).