2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide

C18H30N4O — CID 95202302

IUPAC2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCC(C)c1nccc(CN2CC[C@@H](CNC(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O/c1-13(2)16-19-8-6-15(21-16)12-22-9-7-14(11-22)10-20-17(23)18(3,4)5/h6,8,13-14H,7,9-12H2,1-5H3,(H,20,23)/t14-/m0/s1
InChIKeyINLOJGVOSQLUDB-AWEZNQCLSA-N
MW318.47 g/mol
LogP2.58
Rot. Bonds5

About 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide

2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide (PubChem CID 95202302) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
PubChem CID95202302
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCC(C)c1nccc(CN2CC[C@@H](CNC(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O/c1-13(2)16-19-8-6-15(21-16)12-22-9-7-14(11-22)10-20-17(23)18(3,4)5/h6,8,13-14H,7,9-12H2,1-5H3,(H,20,23)/t14-/m0/s1
InChIKeyINLOJGVOSQLUDB-AWEZNQCLSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide with MolForge

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Related Compounds

N-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95209422
N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide
CID 131900167
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 118765711
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
4-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-oxazepane-6-carboxylic acid
CID 138377685
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
CID 50966597
4-(cyclopropylmethyl)-3-propan-2-yl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-diazepan-5-one
CID 56870343
4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56890608
(4aS,8aR)-1-(3-hydroxypropyl)-6-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70709080
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide (CID 95202302) is 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide is CC(C)c1nccc(CN2CC[C@@H](CNC(=O)C(C)(C)C)C2)n1.
What is the InChIKey of 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is INLOJGVOSQLUDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13(2)16-19-8-6-15(21-16)12-22-9-7-14(11-22)10-20-17(23)18(3,4)5/h6,8,13-14H,7,9-12H2,1-5H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 95202302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).