N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide

C19H26N6O2 — CID 72935394

IUPACN-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CN1Cc1cccnc1
InChIInChI=1S/C19H26N6O2/c1-3-24(4-2)19(27)16-10-15(23-18(26)17-21-8-9-22-17)13-25(16)12-14-6-5-7-20-11-14/h5-9,11,15-16H,3-4,10,12-13H2,1-2H3,(H,21,22)(H,23,26)/t15-,16-/m0/s1
InChIKeyGUKNQLJWPHAKNU-HOTGVXAUSA-N
MW370.46 g/mol
LogP1.05
Rot. Bonds7

About N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide

N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide (PubChem CID 72935394) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
PubChem CID72935394
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CN1Cc1cccnc1
InChIInChI=1S/C19H26N6O2/c1-3-24(4-2)19(27)16-10-15(23-18(26)17-21-8-9-22-17)13-25(16)12-14-6-5-7-20-11-14/h5-9,11,15-16H,3-4,10,12-13H2,1-2H3,(H,21,22)(H,23,26)/t15-,16-/m0/s1
InChIKeyGUKNQLJWPHAKNU-HOTGVXAUSA-N
XLogP1.05
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 72924623
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
(2S,4S)-N-ethyl-4-[[5-(hydroxymethyl)furan-2-carbonyl]amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72871900
(2S,4S)-N-ethyl-4-[(5-methylthiophene-3-carbonyl)amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72842223
(2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-diethyl-4-(pyridin-4-ylmethylamino)pyrrolidine-2-carboxamide
CID 126464877
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-propan-2-ylsulfanylethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
CID 72911113
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
N-[(3S,5S)-1-[(4-ethoxyphenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 71687130
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 72868430
methyl (2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylate
CID 57191432

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide (CID 72935394) is N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CN1Cc1cccnc1.
What is the InChIKey of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide?
The InChIKey is GUKNQLJWPHAKNU-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-24(4-2)19(27)16-10-15(23-18(26)17-21-8-9-22-17)13-25(16)12-14-6-5-7-20-11-14/h5-9,11,15-16H,3-4,10,12-13H2,1-2H3,(H,21,22)(H,23,26)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide?
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 72935394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).