2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide

C25H35N5O5 — CID 110195522

IUPAC2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)c(OC)n1
InChIInChI=1S/C25H35N5O5/c1-34-21-7-6-19(24(27-21)35-2)23(32)26-18-8-10-28(11-9-18)25(33)29-13-16-12-17(15-29)20-4-3-5-22(31)30(20)14-16/h6-7,16-18,20H,3-5,8-15H2,1-2H3,(H,26,32)/t16-,17-,20-/m1/s1
InChIKeyTZCOKJZDALLDQH-MBOZVWFJSA-N
MW485.59 g/mol
LogP1.75
Rot. Bonds4

About 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide

2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 110195522) has the molecular formula C25H35N5O5 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID110195522
Molecular FormulaC25H35N5O5
Molecular Weight485.59 g/mol
Exact Mass485.26
IUPAC Name2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)c(OC)n1
InChIInChI=1S/C25H35N5O5/c1-34-21-7-6-19(24(27-21)35-2)23(32)26-18-8-10-28(11-9-18)25(33)29-13-16-12-17(15-29)20-4-3-5-22(31)30(20)14-16/h6-7,16-18,20H,3-5,8-15H2,1-2H3,(H,26,32)/t16-,17-,20-/m1/s1
InChIKeyTZCOKJZDALLDQH-MBOZVWFJSA-N
XLogP1.75
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-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

2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide
CID 134804724
2-fluoro-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide
CID 134804287
2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 134804157
2-(3-methoxyphenyl)-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
CID 110195525
N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide
CID 110195553
N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]furan-3-carboxamide
CID 134804202
1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 134804240
1-ethyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 110195563
2-(2-methoxyethoxy)-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
CID 110195523
N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 134804376
N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-2-phenylacetamide
CID 134804170
(2R)-11-(4-acetylpiperazine-1-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804351

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide (CID 110195522) is 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is TZCOKJZDALLDQH-MBOZVWFJSA-N. The full InChI is InChI=1S/C25H35N5O5/c1-34-21-7-6-19(24(27-21)35-2)23(32)26-18-8-10-28(11-9-18)25(33)29-13-16-12-17(15-29)20-4-3-5-22(31)30(20)14-16/h6-7,16-18,20H,3-5,8-15H2,1-2H3,(H,26,32)/t16-,17-,20-/m1/s1.
What are the key properties of 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?
2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110195522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).