3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide

C17H18ClN5O3 — CID 120947355

IUPAC3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide
SMILESO=C(NCC1CNCC1O)c1nccnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O3/c18-11-1-3-12(4-2-11)23-17(26)15-14(20-5-6-21-15)16(25)22-8-10-7-19-9-13(10)24/h1-6,10,13,19,24H,7-9H2,(H,22,25)(H,23,26)
InChIKeyCRCYTSYGLRUIRC-UHFFFAOYSA-N
MW375.82 g/mol
LogP0.69
Rot. Bonds5

About 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide

3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide (PubChem CID 120947355) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide
PubChem CID120947355
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC Name3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide
SMILESO=C(NCC1CNCC1O)c1nccnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O3/c18-11-1-3-12(4-2-11)23-17(26)15-14(20-5-6-21-15)16(25)22-8-10-7-19-9-13(10)24/h1-6,10,13,19,24H,7-9H2,(H,22,25)(H,23,26)
InChIKeyCRCYTSYGLRUIRC-UHFFFAOYSA-N
XLogP0.69
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
CID 122516746
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride
CID 120946416
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119478351
N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 120946017
1-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 120946202
4-chloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120948849
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide
CID 67238737
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 120944680
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945161
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 120948248

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide (CID 120947355) is 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide is O=C(NCC1CNCC1O)c1nccnc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide?
The InChIKey is CRCYTSYGLRUIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c18-11-1-3-12(4-2-11)23-17(26)15-14(20-5-6-21-15)16(25)22-8-10-7-19-9-13(10)24/h1-6,10,13,19,24H,7-9H2,(H,22,25)(H,23,26).
What are the key properties of 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide?
3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide has a molecular weight of 375.82 g/mol, XLogP of 0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 120947355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).