5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide

C16H24N4O — CID 135088257

IUPAC5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2[C@@H]3CC[C@H]2CN(C)CC3)nc1C
InChIInChI=1S/C16H24N4O/c1-10-8-14(15(17)21)16(18-11(10)2)20-12-4-5-13(20)9-19(3)7-6-12/h8,12-13H,4-7,9H2,1-3H3,(H2,17,21)/t12-,13+/m1/s1
InChIKeyOMIWQRQHYDVQGK-OLZOCXBDSA-N
MW288.39 g/mol
LogP1.47
Rot. Bonds2

About 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide

5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide (PubChem CID 135088257) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
PubChem CID135088257
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2[C@@H]3CC[C@H]2CN(C)CC3)nc1C
InChIInChI=1S/C16H24N4O/c1-10-8-14(15(17)21)16(18-11(10)2)20-12-4-5-13(20)9-19(3)7-6-12/h8,12-13H,4-7,9H2,1-3H3,(H2,17,21)/t12-,13+/m1/s1
InChIKeyOMIWQRQHYDVQGK-OLZOCXBDSA-N
XLogP1.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 154907806
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 131924706
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
CID 135101015
1-methyl-5-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-1,2,4-triazole-3-carboxylic acid
CID 146046162
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 134704499
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide
CID 86283097
2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 164629272
2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
CID 124846696

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide (CID 135088257) is 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2[C@@H]3CC[C@H]2CN(C)CC3)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide?
The InChIKey is OMIWQRQHYDVQGK-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10-8-14(15(17)21)16(18-11(10)2)20-12-4-5-13(20)9-19(3)7-6-12/h8,12-13H,4-7,9H2,1-3H3,(H2,17,21)/t12-,13+/m1/s1.
What are the key properties of 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide?
5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135088257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).