(1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C18H27N3O2 — CID 124845723

IUPAC(1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESC[C@H]1C[C@H]1c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1
InChIInChI=1S/C18H27N3O2/c1-12-9-16(12)17-6-5-15(23-17)10-19-18(22)21-8-7-13-3-4-14(11-21)20(13)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3,(H,19,22)/t12-,13+,14-,16+/m0/s1
InChIKeyRVFYIHXXOZTXQE-KNCOVGOOSA-N
MW317.43 g/mol
LogP2.78
Rot. Bonds3

About (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 124845723) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID124845723
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESC[C@H]1C[C@H]1c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1
InChIInChI=1S/C18H27N3O2/c1-12-9-16(12)17-6-5-15(23-17)10-19-18(22)21-8-7-13-3-4-14(11-21)20(13)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3,(H,19,22)/t12-,13+,14-,16+/m0/s1
InChIKeyRVFYIHXXOZTXQE-KNCOVGOOSA-N
XLogP2.78
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-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

2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]morpholine-4-carboxamide
CID 75374769
1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 60761364
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115588959
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94120307
9-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 136529481
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 119126691
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
CID 43739403
tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate
CID 103748609

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 124845723) is (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is C[C@H]1C[C@H]1c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1.
What is the InChIKey of (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is RVFYIHXXOZTXQE-KNCOVGOOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-9-16(12)17-6-5-15(23-17)10-19-18(22)21-8-7-13-3-4-14(11-21)20(13)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3,(H,19,22)/t12-,13+,14-,16+/m0/s1.
What are the key properties of (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-9-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 124845723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).