N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

C14H23N5O2 — CID 132984539

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nccn2C)C1)C(=O)N(C)C
InChIInChI=1S/C14H23N5O2/c1-10(13(20)17(2)3)16-14(21)19-7-5-11(9-19)12-15-6-8-18(12)4/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,21)
InChIKeyFOLQRZWYCBHEJN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.40
Rot. Bonds3

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 132984539) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID132984539
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nccn2C)C1)C(=O)N(C)C
InChIInChI=1S/C14H23N5O2/c1-10(13(20)17(2)3)16-14(21)19-7-5-11(9-19)12-15-6-8-18(12)4/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,21)
InChIKeyFOLQRZWYCBHEJN-UHFFFAOYSA-N
XLogP0.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
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CID 127982606
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127788298
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 138994102
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CID 127666931
N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
CID 62133303
2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
CID 166236817
2-hydroxy-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 70771246
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (CID 132984539) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC(c2nccn2C)C1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is FOLQRZWYCBHEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(13(20)17(2)3)16-14(21)19-7-5-11(9-19)12-15-6-8-18(12)4/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,21).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 132984539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).