3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride

C16H17Cl2N5O2 — CID 119412850

IUPAC3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H16ClN5O2.ClH/c17-10-1-3-12(4-2-10)21-15(23)13-14(20-7-6-19-13)16(24)22-8-5-11(18)9-22;/h1-4,6-7,11H,5,8-9,18H2,(H,21,23);1H/t11-;/m1./s1
InChIKeyADMNPJQMOHTHDF-RFVHGSKJSA-N
MW382.25 g/mol
LogP1.98
Rot. Bonds3

About 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride (PubChem CID 119412850) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride
PubChem CID119412850
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H16ClN5O2.ClH/c17-10-1-3-12(4-2-10)21-15(23)13-14(20-7-6-19-13)16(24)22-8-5-11(18)9-22;/h1-4,6-7,11H,5,8-9,18H2,(H,21,23);1H/t11-;/m1./s1
InChIKeyADMNPJQMOHTHDF-RFVHGSKJSA-N
XLogP1.98
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119478351
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
CID 119373556
N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
CID 122516746
N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide
CID 124985334
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119409656

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride (CID 119412850) is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride is Cl.N[C@@H]1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is ADMNPJQMOHTHDF-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H16ClN5O2.ClH/c17-10-1-3-12(4-2-10)21-15(23)13-14(20-7-6-19-13)16(24)22-8-5-11(18)9-22;/h1-4,6-7,11H,5,8-9,18H2,(H,21,23);1H/t11-;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride?
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 382.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119412850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).