ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate

C16H18N4O3 — CID 97314443

IUPACethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H18N4O3/c1-2-23-16(22)13-4-3-8-20(13)15(21)12-5-6-14(18-10-12)19-9-7-17-11-19/h5-7,9-11,13H,2-4,8H2,1H3/t13-/m1/s1
InChIKeyFCPVCCZDSCRPKZ-CYBMUJFWSA-N
MW314.35 g/mol
LogP1.43
Rot. Bonds4

About ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate

ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 97314443) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID97314443
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Nameethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H18N4O3/c1-2-23-16(22)13-4-3-8-20(13)15(21)12-5-6-14(18-10-12)19-9-7-17-11-19/h5-7,9-11,13H,2-4,8H2,1H3/t13-/m1/s1
InChIKeyFCPVCCZDSCRPKZ-CYBMUJFWSA-N
XLogP1.43
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115900329
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110105665
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
ethyl (2S)-1-(4-decoxybenzoyl)pyrrolidine-2-carboxylate
CID 56622228

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 97314443) is ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is FCPVCCZDSCRPKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-23-16(22)13-4-3-8-20(13)15(21)12-5-6-14(18-10-12)19-9-7-17-11-19/h5-7,9-11,13H,2-4,8H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate?
ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 314.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 97314443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).