4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide

C10H16N4O — CID 114486987

IUPAC4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCn1cncc1C1CNCC1C(N)=O
InChIInChI=1S/C10H16N4O/c1-2-14-6-13-5-9(14)7-3-12-4-8(7)10(11)15/h5-8,12H,2-4H2,1H3,(H2,11,15)
InChIKeyQMHKWOOKYZKNMB-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.31
Rot. Bonds3

About 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide

4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 114486987) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID114486987
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCn1cncc1C1CNCC1C(N)=O
InChIInChI=1S/C10H16N4O/c1-2-14-6-13-5-9(14)7-3-12-4-8(7)10(11)15/h5-8,12H,2-4H2,1H3,(H2,11,15)
InChIKeyQMHKWOOKYZKNMB-UHFFFAOYSA-N
XLogP-0.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-pyrrolidin-2-one
CID 15021363
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 15021362
5-Oxo-D-prolyl-1-methyl-L-histidyl-L-prolinamide
CID 44286893
(S)-2-amino-3-(1H-imidazol-4-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 11321743
2-Amino-3-(1H-imidazol-4-yl)-1-pyrrolidin-1-yl-propan-1-one
CID 9920733
3-Ethyl-1-methyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-pyrrolidin-2-one
CID 44323879
(3R,4R)-3-ethyl-1-methyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 44323916
(2S,3S)-2-amino-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-methylpentanamide
CID 73353611
H-Sar-Arg-Val-Gly-Val-His-Pro-Gly-NH2
CID 155558059
H-Sar-Arg-Val-Ile-Ile-His-Pro-Ile-NH2
CID 155561376
N(alpha)-acetyl-L-histidyl-D-prolinamide
CID 447134
(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1S,2S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]pyrrolidine-2-carboxamide
CID 497054

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide (CID 114486987) is 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide is CCn1cncc1C1CNCC1C(N)=O.
What is the InChIKey of 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is QMHKWOOKYZKNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-14-6-13-5-9(14)7-3-12-4-8(7)10(11)15/h5-8,12H,2-4H2,1H3,(H2,11,15).
What are the key properties of 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide?
4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114486987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).