N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide

C16H25N5O2 — CID 72856018

IUPACN-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc(C)[nH]2)CN1CC1CC1
InChIInChI=1S/C16H25N5O2/c1-3-17-15(22)13-6-12(9-21(13)8-11-4-5-11)20-16(23)14-18-7-10(2)19-14/h7,11-13H,3-6,8-9H2,1-2H3,(H,17,22)(H,18,19)(H,20,23)/t12-,13-/m0/s1
InChIKeyGCONGKBSXQAJAB-STQMWFEESA-N
MW319.41 g/mol
LogP0.44
Rot. Bonds6

About N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide

N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 72856018) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID72856018
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc(C)[nH]2)CN1CC1CC1
InChIInChI=1S/C16H25N5O2/c1-3-17-15(22)13-6-12(9-21(13)8-11-4-5-11)20-16(23)14-18-7-10(2)19-14/h7,11-13H,3-6,8-9H2,1-2H3,(H,17,22)(H,18,19)(H,20,23)/t12-,13-/m0/s1
InChIKeyGCONGKBSXQAJAB-STQMWFEESA-N
XLogP0.44
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 72933843
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-propan-2-ylsulfanylethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
CID 72911113
N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 72855563
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 72862078
1-N,4-N-bis[5-[(2-amino-2-iminoethyl)carbamoyl]-1-(cyclopropylmethyl)pyrrolidin-3-yl]cyclohexa-1,3-diene-1,4-dicarboxamide
CID 10153299
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 72890602
(2S,4S)-N-ethyl-4-[(5-methylthiophene-3-carbonyl)amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72842223
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 72907535
N-[(3R,5S)-1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 72858565
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 72935005
5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide
CID 72921865

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide (CID 72856018) is N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc(C)[nH]2)CN1CC1CC1.
What is the InChIKey of N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is GCONGKBSXQAJAB-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-17-15(22)13-6-12(9-21(13)8-11-4-5-11)20-16(23)14-18-7-10(2)19-14/h7,11-13H,3-6,8-9H2,1-2H3,(H,17,22)(H,18,19)(H,20,23)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 72856018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).