N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide

C16H26N4O — CID 110249167

IUPACN,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCCc1ncc(CN2CCCC2(C)C(=O)N(C)C)cn1
InChIInChI=1S/C16H26N4O/c1-5-7-14-17-10-13(11-18-14)12-20-9-6-8-16(20,2)15(21)19(3)4/h10-11H,5-9,12H2,1-4H3
InChIKeyHCTUBGPPQGYQOW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.87
Rot. Bonds5

About N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide

N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110249167) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID110249167
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCCc1ncc(CN2CCCC2(C)C(=O)N(C)C)cn1
InChIInChI=1S/C16H26N4O/c1-5-7-14-17-10-13(11-18-14)12-20-9-6-8-16(20,2)15(21)19(3)4/h10-11H,5-9,12H2,1-4H3
InChIKeyHCTUBGPPQGYQOW-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 110249101
(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991235
(2R)-2-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-2-carboxamide
CID 99854717
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 110244224
2-methyl-1-[(4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 104599147
(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 95851895
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
CID 104598887
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589293
1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79976831
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide (CID 110249167) is N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide is CCCc1ncc(CN2CCCC2(C)C(=O)N(C)C)cn1.
What is the InChIKey of N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is HCTUBGPPQGYQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-7-14-17-10-13(11-18-14)12-20-9-6-8-16(20,2)15(21)19(3)4/h10-11H,5-9,12H2,1-4H3.
What are the key properties of N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide?
N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110249167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).