N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

C19H24N6O2 — CID 72898607

IUPACN,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCc1nc(N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c2cccnc2n1
InChIInChI=1S/C19H24N6O2/c1-12-21-17-15(5-4-8-20-17)18(22-12)24-9-13-6-7-14(10-24)25(19(13)27)11-16(26)23(2)3/h4-5,8,13-14H,6-7,9-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyPFNNXURCVBEZBL-UONOGXRCSA-N
MW368.44 g/mol
LogP0.85
Rot. Bonds3

About N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (PubChem CID 72898607) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
PubChem CID72898607
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCc1nc(N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c2cccnc2n1
InChIInChI=1S/C19H24N6O2/c1-12-21-17-15(5-4-8-20-17)18(22-12)24-9-13-6-7-14(10-24)25(19(13)27)11-16(26)23(2)3/h4-5,8,13-14H,6-7,9-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyPFNNXURCVBEZBL-UONOGXRCSA-N
XLogP0.85
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
CID 133133330
2-[(1S,5R)-3-(4,6-dimethoxypyrimidin-2-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 70783249
2-[(1R,5S)-3-(2-ethoxypyridine-3-carbonyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133133507
2-[(1R,5S)-3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133127739
(1S,5R)-6-(cyclobutylmethyl)-3-(2-methylthieno[2,3-d]pyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72871408
4-[[(1R,5S)-6-[2-(dimethylamino)-2-oxoethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]benzoic acid
CID 133117352
2-[(1R,5S)-3-(1-benzofuran-2-ylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133122579
2-[(1R,5S)-3-[2-(1,2-benzoxazol-3-yl)acetyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133120605
(1R,5S)-6-benzyl-3-(2-methylthieno[2,3-d]pyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133134401
2-[(1S,5R)-3-[3-(4-fluorophenoxy)propyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 72905561
2-[(1S,5R)-3-[2-(3,4-dimethylphenoxy)ethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 72926473
benzyl (1S,5R)-6-[2-(dimethylamino)-2-oxoethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CID 72912701

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (CID 72898607) is N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is Cc1nc(N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c2cccnc2n1.
What is the InChIKey of N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The InChIKey is PFNNXURCVBEZBL-UONOGXRCSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-21-17-15(5-4-8-20-17)18(22-12)24-9-13-6-7-14(10-24)25(19(13)27)11-16(26)23(2)3/h4-5,8,13-14H,6-7,9-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S,5R)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is sourced from PubChem (CID 72898607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).