N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide

C18H27N7O4 — CID 21414966

IUPACN-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCCC1(C)NC(=O)NC1C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C18H27N7O4/c1-3-18(2)13(23-17(29)24-18)15(27)22-11(7-10-8-20-9-21-10)16(28)25-6-4-5-12(25)14(19)26/h8-9,11-13H,3-7H2,1-2H3,(H2,19,26)(H,20,21)(H,22,27)(H2,23,24,29)
InChIKeyQEKIEBNUVBJMJK-UHFFFAOYSA-N
MW405.46 g/mol
LogP-1.24
Rot. Bonds7

About N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide

N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 21414966) has the molecular formula C18H27N7O4 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID21414966
Molecular FormulaC18H27N7O4
Molecular Weight405.46 g/mol
Exact Mass405.21
IUPAC NameN-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCCC1(C)NC(=O)NC1C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C18H27N7O4/c1-3-18(2)13(23-17(29)24-18)15(27)22-11(7-10-8-20-9-21-10)16(28)25-6-4-5-12(25)14(19)26/h8-9,11-13H,3-7H2,1-2H3,(H2,19,26)(H,20,21)(H,22,27)(H2,23,24,29)
InChIKeyQEKIEBNUVBJMJK-UHFFFAOYSA-N
XLogP-1.24
TPSA162.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methyl-5-oxopyrrolidine-2-carboxamide
CID 54091495
acetic acid;(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69031038
(2S)-1-[(2S)-2-[[(2S)-1-(hydroxymethyl)-4-oxoazetidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 14076463
(4S)-3-benzyl-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 3080391
tert-butyl (2S)-2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 11070604
(2S)-2-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pentanediamide
CID 14216890
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[(4-oxo-2-phenylcyclopentanecarbonyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 54377855
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1-prop-2-enyl-1,3-diazinane-4-carboxamide
CID 3080394
2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18218498
1-benzyl-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide;hydrate
CID 21155358
(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 71352675
(2R)-1-[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 16741068

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide (CID 21414966) is N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide is CCC1(C)NC(=O)NC1C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is QEKIEBNUVBJMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O4/c1-3-18(2)13(23-17(29)24-18)15(27)22-11(7-10-8-20-9-21-10)16(28)25-6-4-5-12(25)14(19)26/h8-9,11-13H,3-7H2,1-2H3,(H2,19,26)(H,20,21)(H,22,27)(H2,23,24,29).
What are the key properties of N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide?
N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of -1.24, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 21414966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).