N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide

C22H34N4O — CID 166615515

IUPACN,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide
SMILESCCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(c4cccc(C(=O)N(C)C)n4)C3)CN12
InChIInChI=1S/C22H34N4O/c1-4-7-18-8-5-10-20-17-12-16(14-26(18)20)13-25(15-17)21-11-6-9-19(23-21)22(27)24(2)3/h6,9,11,16-18,20H,4-5,7-8,10,12-15H2,1-3H3/t16-,17+,18-,20-/m0/s1
InChIKeyPNXGFJHGTCWMMK-DMUMMCEESA-N
MW370.54 g/mol
LogP3.26
Rot. Bonds4

About N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide

N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide (PubChem CID 166615515) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide
PubChem CID166615515
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide
SMILESCCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(c4cccc(C(=O)N(C)C)n4)C3)CN12
InChIInChI=1S/C22H34N4O/c1-4-7-18-8-5-10-20-17-12-16(14-26(18)20)13-25(15-17)21-11-6-9-19(23-21)22(27)24(2)3/h6,9,11,16-18,20H,4-5,7-8,10,12-15H2,1-3H3/t16-,17+,18-,20-/m0/s1
InChIKeyPNXGFJHGTCWMMK-DMUMMCEESA-N
XLogP3.26
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
CID 166619943
2,3-dihydro-1,4-benzodioxin-5-yl-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methanone
CID 166616740
3H-benzimidazol-5-yl-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methanone
CID 166624293
4-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-2,3-dihydroinden-1-one
CID 166615705
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methanone
CID 166618315
(2R)-2-amino-3-phenyl-1-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]propan-1-one
CID 166614908
(4,6-dimethylpyrimidin-5-yl)-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methanone;formic acid
CID 171710484
6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 126435494
methyl 3-[[(3aS,5R,6R,7aR)-2-[6-(dimethylcarbamoyl)-2-pyridinyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]oxy]benzoate
CID 172660542
6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 135106188
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 131933454

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide (CID 166615515) is N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide is CCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(c4cccc(C(=O)N(C)C)n4)C3)CN12.
What is the InChIKey of N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide?
The InChIKey is PNXGFJHGTCWMMK-DMUMMCEESA-N. The full InChI is InChI=1S/C22H34N4O/c1-4-7-18-8-5-10-20-17-12-16(14-26(18)20)13-25(15-17)21-11-6-9-19(23-21)22(27)24(2)3/h6,9,11,16-18,20H,4-5,7-8,10,12-15H2,1-3H3/t16-,17+,18-,20-/m0/s1.
What are the key properties of N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide?
N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166615515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).