N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride

C18H28Cl2N4O2 — CID 171324874

IUPACN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCCN21)c1ccc[nH]c1=O
InChIInChI=1S/C18H26N4O2.2ClH/c23-17-14(4-3-6-20-17)18(24)21-11-16-13-8-12(9-19-10-13)15-5-1-2-7-22(15)16;;/h3-4,6,12-13,15-16,19H,1-2,5,7-11H2,(H,20,23)(H,21,24);2*1H/t12-,13+,15+,16+;;/m1../s1
InChIKeyGDARBFPEAKRCKH-ZTDVEMGNSA-N
MW403.35 g/mol
LogP1.41
Rot. Bonds3

About N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride

N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride (PubChem CID 171324874) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride
PubChem CID171324874
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC NameN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCCN21)c1ccc[nH]c1=O
InChIInChI=1S/C18H26N4O2.2ClH/c23-17-14(4-3-6-20-17)18(24)21-11-16-13-8-12(9-19-10-13)15-5-1-2-7-22(15)16;;/h3-4,6,12-13,15-16,19H,1-2,5,7-11H2,(H,20,23)(H,21,24);2*1H/t12-,13+,15+,16+;;/m1../s1
InChIKeyGDARBFPEAKRCKH-ZTDVEMGNSA-N
XLogP1.41
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-{[(1R,2S,8S,9S)-8-(cyclohexylmethyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-pyridinol
CID 163305030
(1R,2S,8S,9S)-11-[(2-hydroxy-3-pyridinyl)carbonyl]-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 163310388
3-{[(1R,2S,8S,9S)-8-(cyclohexylmethyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-6-methyl-2-pyridinol
CID 163314697
4-{[(1R,2S,8S,9S)-8-(cyclohexylmethyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-pyridinol
CID 163315831
6-{[(1R,2S,8S,9S)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-pyridinol
CID 164690093
5-{[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-pyridinol
CID 164690735
3-{[(1R,2S,8S,9S)-8-(cyclohexylmethyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-1-methyl-2(1H)-pyridinone
CID 164700085
6-methyl-3-{[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-pyridinol
CID 166612518
1-{3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-3-oxopropyl}-2(1H)-pyridinone
CID 166614962
5-{[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-pyridinol
CID 166617846
N-[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-8-ylmethyl]-6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide dihydrochloride
CID 168060381
N-{[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-8-yl]methyl}-3-(2-oxo-1(2H)-pyridinyl)propanamide hydrochloride
CID 168060498

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride (CID 171324874) is N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCCN21)c1ccc[nH]c1=O.
What is the InChIKey of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
The InChIKey is GDARBFPEAKRCKH-ZTDVEMGNSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c23-17-14(4-3-6-20-17)18(24)21-11-16-13-8-12(9-19-10-13)15-5-1-2-7-22(15)16;;/h3-4,6,12-13,15-16,19H,1-2,5,7-11H2,(H,20,23)(H,21,24);2*1H/t12-,13+,15+,16+;;/m1../s1.
What are the key properties of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 171324874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).